Vitas-M small molecule compound
3-(2-{(1E)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK105158
SMILES N#C/C(=C\c1cccn1c1cccc(c1)C(=O)O)/C(=O)Nc1ccccc1C
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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 C22H17N3O3 MW 371.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O3/c1-15-6-2-3-10-20(15)24-21(26)17(14-23)13-19-9-5-11-25(19)18-8-4-7-16(12-18)22(27)28/h2-13H,1H3,(H,24,26)(H,27,28)/b17-13+InChIKey
YMKQSYXDNXNXSE-GHRIWEEISA-NSynonyms
3(2((1E)2CYANO3((2METHYLPHENYL)AMINO)3OXOPROP1EN1YL)1HPYRROL1YL)BENZOICACID
3(2((E)2CYANO3(2METHYLANILINO)3OXOPROP1ENYL)PYRROL1YL)BENZOICACID
CC1=CC=CC=C1NC(=O)C(=CC2=CC=CN2C3=CC=CC(=C3)C(=O)O)C#N
InChI=1SC22H17N3O3c1156231020(15)2421(26)17(1423)1319951125(19)1884716(1218)22(27)28h213H1H3(H2426)(H2728)b1713+
MFCD04126659
N#CC(=Cc1cccn1c1cccc(c1)C(=O)O)C(=O)Nc1ccccc1C
ZINC000004674782
ZINC4674782
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