N-[(6E)-5-cyano-11-methyl-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.0³,⁸]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-2H-1,3-benzodioxole-5-carboxamide



Compound number:
MolPort-002-634-467
IUPAC:
N-[(6E)-5-cyano-11-methyl-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.0³,⁸]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-2H-1,3-benzodioxole-5-carboxamide
IUPAC traditional:
N-[(6E)-5-cyano-11-methyl-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.0³,⁸]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-2H-1,3-benzodioxole-5-carboxamide
SMILES:
CC(C)Cn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccc2OCOc2c1
InChI key:
SGUBECVQQMGKRC-XAYXJRQQSA-N
Molecular formula:
C25H21N5O4
Molecular weight: 455.474
Solubility: not available

Marketplace Offers

Price range: from to USD Pack size: from to mg
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S&H to USA: 143.00 USD
S&H to World: 143.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 9 business days Purity: >90%
Last updated: this month In warehouse: 160.00 mg
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1 mg November 5, 2020 30.22 USD
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2 mg November 5, 2020 31.93 USD
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3 mg November 5, 2020 35.35 USD
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S&H to USA: 140.00 USD
S&H to World: 180.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: n/a
Last updated: last month In warehouse: Unverified
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5 micromol October 30, 2020 26.00 USD
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10 micromol October 30, 2020 31.00 USD
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20 micromol October 30, 2020 37.00 USD
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S&H to USA: 140.00 USD
S&H to World: 180.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: 92 - 98%
Last updated: > 3 months ago In warehouse: 300.00 mg
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3 micromol October 30, 2020 32.00 USD
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5 micromol October 30, 2020 35.20 USD
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10 micromol October 30, 2020 60.00 USD
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S&H to USA: 105.00 USD
S&H to World: 105.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 8 business days Purity: 90
Last updated: > 3 months ago In warehouse: 50.00 mg
Pack size Ships out Price Qty
1 mg November 4, 2020 24.90 USD
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2 mg November 4, 2020 28.00 USD
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3 mg November 4, 2020 31.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-002-634-467

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000013030622
MFCD05701408
Benzo[1,3]dioxole-5-carboxylic acid (3-cyano-1-isobutyl-8-methyl-10-oxo-1,10-dihydro-1,9,10a-triaza-anthracen-2-ylidene)-amide
(E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzo[d][1,3]dioxole-5-carboxamide
N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-1,3-benzodioxole-5-carboxamide

InChI
InChI: 1S/C25H21N5O4/c1-14(2)12-30-22(28-24(31)16-6-7-19-20(10-16)34-13-33-19)17(11-26)9-18-23(30)27-21-15(3)5-4-8-29(21)25(18)32/h4-10,14H,12-13H2,1-3H3/b28-22+
InChI key: SGUBECVQQMGKRC-XAYXJRQQSA-N

Calculated Properties
Molecular formula: C25H21N5O4
Molecular weight: 455.474

Other

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2020 MolPort, v3.95, release date 18-10-2020 14:00 (+0200). All rights reserved.
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