4-[(4Z)-4-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid



Compound number:
MolPort-002-171-380
CAS number: 328968-36-1; 328968-36-1
IUPAC:
4-[(4Z)-4-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
IUPAC traditional:
4-[(4Z)-4-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxopyrazol-1-yl]benzoic acid
SMILES:
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O |t:1|
InChI key:
HEKJYZZSCQBJGB-UNOMPAQXSA-N
Molecular formula:
C24H19N3O6
Molecular weight: 445.431
Solubility: not available

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Catalog: Screening compound Ships out: 3 business days Purity: 99.00%
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2 mg October 29, 2020 50.00 USD
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5 mg October 29, 2020 70.00 USD
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Catalog: Screening compound Ships out: 2 business days Purity: 99.0
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2 mg October 28, 2020 72.60 USD
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10 mg October 28, 2020 151.25 USD
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50 mg October 28, 2020 574.75 USD
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Catalog: Screening compound Ships out: 6 business days Purity: n/a
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10 mg November 3, 2020 174.24 USD
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50 mg November 3, 2020 677.60 USD
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Catalog: Screening compound Ships out: 4 business days Purity: > 98%
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10 mg October 30, 2020 283.14 USD
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50 mg October 30, 2020 1139.82 USD
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Catalog: Screening compound Ships out: 2 business days Purity: n/a
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1 micromol October 28, 2020 60.00 USD
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2 micromol October 28, 2020 79.20 USD
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Catalog: Screening compound Ships out: 20 business days Purity: >=98% (mixture of isomers)
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1 mg November 23, 2020 44.77 USD
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5 mg November 23, 2020 127.05 USD
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10 mg November 23, 2020 210.54 USD
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Catalog: Building blocks Ships out: 5 business days Purity: 98+%
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100 mg November 2, 2020 68.00 USD
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250 mg November 2, 2020 129.00 USD
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1 g November 2, 2020 325.00 USD
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Catalog: Building blocks Ships out: 8 business days Purity: ≥98% (mixture of isomers)
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1 mg November 5, 2020 69.00 USD
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5 mg November 5, 2020 130.00 USD
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10 mg November 5, 2020 167.00 USD
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Catalog: Building blocks Ships out: 3 business days Purity: > 98%
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5 mg October 29, 2020 192.84 USD
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Catalog: Building blocks Ships out: 7 business days Purity: 98%
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0.01 g November 4, 2020 245.00 USD
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0.05 g November 4, 2020 731.00 USD
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Catalog: Building blocks Ships out: 7 business days Purity: 98+%
Last updated: this week In warehouse: 9.81 g
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5 mg November 4, 2020 78.00 USD
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0.01 g November 4, 2020 131.00 USD
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0.05 g November 4, 2020 504.00 USD
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S&H to USA: 35.00 USD
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Supplier Catalogue Data


Catalog: Building blocks Ships out: 5 business days Purity: 98+%
Last updated: > 3 months ago In warehouse: Unverified
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1 mg November 2, 2020 36.00 USD
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5 mg November 2, 2020 79.00 USD
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50 mg November 2, 2020 498.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-002-171-380
CAS number: 328968-36-1; 328968-36-1

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000008780879
MFCD01784780
4-[4-[[5-(4,5-dimethyl-2-nitrophenyl)-2-furanyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyra-zol-1-yl]-benzoic acid
4-(4-{[5-(4,5-dimethyl-2-nitrophenyl)(2-furyl)]methylene}-3-methyl-5-oxo-1,2-d iazolinyl)benzoic acid
4-(4-{[5-(4,5-dimethyl-2-nitrophenyl)-2-furyl]methylene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
4-(4-((5-(4,5-Dimethyl-2-nitrophenyl)furan-2-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
4-[(4Z)-4-[[5-(4,5-Dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Benzoic acid, 4-[4-[[5-(4,5-dimethyl-2-nitrophenyl)-2-furanyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-
C 646
C646
(Z)-4-(4-((5-(4,5-Dimethyl-2-nitrophenyl)furan-2-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid

InChI
InChI: 1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12-
InChI key: HEKJYZZSCQBJGB-UNOMPAQXSA-N

Calculated Properties
Molecular formula: C24H19N3O6
Molecular weight: 445.431

Other

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2020 MolPort, v3.96, release date 25-10-2020 12:00 (+0200). All rights reserved.
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