Vitas-M small molecule compound
2-chloro-5-(3-{(1E)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK186004
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(c(c1)C(=O)O)Cl)C)/C(=O)Nc1ccc(cc1)OC
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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 C24H20ClN3O4 MW 449.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN3O4/c1-14-10-16(15(2)28(14)19-6-9-22(25)21(12-19)24(30)31)11-17(13-26)23(29)27-18-4-7-20(32-3)8-5-18/h4-12H,1-3H3,(H,27,29)(H,30,31)/b17-11+InChIKey
FVMGLNVDCQUMEF-GZTJUZNOSA-NSynonyms
2CHLORO5(3((1E)2CYANO3((4METHOXYPHENYL)AMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOICACID
2CHLORO5(3((E)2CYANO3(4METHOXYANILINO)3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(=O)O)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)OC
InChI=1SC24H20ClN3O4c1141016(15(2)28(14)196922(25)21(1219)24(30)31)1117(1326)23(29)27184720(323)8518h412H13H3(H2729)(H3031)b1711+
MFCD03162544
N#CC(=Cc1cc(n(c1C)c1ccc(c(c1)C(=O)O)Cl)C)C(=O)Nc1ccc(cc1)OC
ZINC000009261674
ZINC9261674
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