Vitas-M small molecule compound
4-(2-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK201426
SMILES N#C/C(=C/c1cccn1c1ccc(cc1)C(=O)O)/C(=O)Nc1ccc(cc1)F
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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 C21H14FN3O3 MW 375.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14FN3O3/c22-16-5-7-17(8-6-16)24-20(26)15(13-23)12-19-2-1-11-25(19)18-9-3-14(4-10-18)21(27)28/h1-12H,(H,24,26)(H,27,28)/b15-12-InChIKey
WENPUPYFEXFDCT-QINSGFPZSA-NSynonyms
4(2((1Z)2CYANO3((4FLUOROPHENYL)AMINO)3OXOPROP1EN1YL)1HPYRROL1YL)BENZOICACID
4(2((Z)2CYANO3(4FLUOROANILINO)3OXOPROP1ENYL)PYRROL1YL)BENZOICACID
C1=CN(C(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)C(=O)O
InChI=1SC21H14FN3O3c22165717(8616)2420(26)15(1323)1219211125(19)189314(41018)21(27)28h112H(H2426)(H2728)b1512
MFCD04360961
N#CC(=Cc1cccn1c1ccc(cc1)C(=O)O)C(=O)Nc1ccc(cc1)F
ZINC000004739757
ZINC4739757
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