bis((2Z)-but-2-enedioic acid); 6-{[2-(1H-imidazol-4-yl)ethyl]amino}-N-[4-(trifluoromethyl)phenyl]heptanamide

Compound number:
MolPort-003-983-593
CAS number: 195867-54-0
IUPAC:
bis((2Z)-but-2-enedioic acid); 6-{[2-(1H-imidazol-4-yl)ethyl]amino}-N-[4-(trifluoromethyl)phenyl]heptanamide
IUPAC traditional:
6-{[2-(1H-imidazol-4-yl)ethyl]amino}-N-[4-(trifluoromethyl)phenyl]heptanamide; bis(maleic acid)
SMILES:
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CC(CCCCC(=O)Nc1ccc(cc1)C(F)(F)F)NCCc1c[nH]cn1
InChI key:
ODAOZWTYNWZSBY-SPIKMXEPSA-N
Molecular formula:
C27H33F3N4O9
Molecular weight: 614.575
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: >99%
Last updated: last month In warehouse: Unverified
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10 mg September 30, 2019 136.88 USD
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50 mg September 30, 2019 462.56 USD
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S&H to USA: 77.00 USD
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Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: > 98%
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
10 mg October 7, 2019 222.51 USD
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More Information

Compound Identifiers
Compound number: MolPort-003-983-593
CAS number: 195867-54-0

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000003995455
ZINC000005115833
Histamine trifluoromethyl toluidide |
HTMT dimaleate

InChI
InChI: 1S/C19H25F3N4O.2C4H4O4/c1-14(24-11-10-17-12-23-13-25-17)4-2-3-5-18(27)26-16-8-6-15(7-9-16)19(20,21)22;2*5-3(6)1-2-4(7)8/h6-9,12-14,24H,2-5,10-11H2,1H3,(H,23,25)(H,26,27);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChI key: ODAOZWTYNWZSBY-SPIKMXEPSA-N

Calculated Properties
Molecular formula: C27H33F3N4O9
Molecular weight: 614.575

Other

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2019 MolPort, v3.17, release date 23-09-2019 12:00 (+0200). All rights reserved.
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