Vitas-M small molecule compound
3-(2-{(1E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK101993
SMILES N#C/C(=C\c1cccn1c1cccc(c1)C(=O)O)/C(=O)Nc1ccc(c(c1)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H19N3O3 MW 385.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O3/c1-15-8-9-19(11-16(15)2)25-22(27)18(14-24)13-21-7-4-10-26(21)20-6-3-5-17(12-20)23(28)29/h3-13H,1-2H3,(H,25,27)(H,28,29)/b18-13+InChIKey
ZKCPQJKESOFIIE-QGOAFFKASA-NSynonyms
3(2((1E)2CYANO3((34DIMETHYLPHENYL)AMINO)3OXOPROP1EN1YL)1HPYRROL1YL)BENZOICACID
3(2((E)2CYANO3(34DIMETHYLANILINO)3OXOPROP1ENYL)PYRROL1YL)BENZOICACID
CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC=CN2C3=CC=CC(=C3)C(=O)O)C#N)C
InChI=1SC23H19N3O3c1158919(1116(15)2)2522(27)18(1424)1321741026(21)2063517(1220)23(28)29h313H12H3(H2527)(H2829)b1813+
MFCD04126613
N#CC(=Cc1cccn1c1cccc(c1)C(=O)O)C(=O)Nc1ccc(c(c1)C)C
ZINC000004674125
ZINC4674125
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