Vitas-M small molecule compound
5-(3-{(1Z)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,3-dicarboxylic acid
Catalog ID
STK111860
SMILES N#C/C(=C/c1cc(n(c1C)c1cc(cc(c1)C(=O)O)C(=O)O)C)/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 C24H18FN3O5 MW 447.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18FN3O5/c1-13-7-15(8-18(12-26)22(29)27-20-5-3-19(25)4-6-20)14(2)28(13)21-10-16(23(30)31)9-17(11-21)24(32)33/h3-11H,1-2H3,(H,27,29)(H,30,31)(H,32,33)/b18-8-InChIKey
UGZPQYGFMCBGBC-LSCVHKIXSA-NSynonyms
5(3((1Z)2CYANO3((4FLUOROPHENYL)AMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZENE13DICARBOXYLICACID
5(3((Z)2cyano3(4fluoroanilino)3oxoprop1enyl)25dimethylpyrrol1yl)benzene13dicarboxylicacid
CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)F
InChI=1SC24H18FN3O5c113715(818(1226)22(29)27205319(25)4620)14(2)28(13)211016(23(30)31)917(1121)24(32)33h311H12H3(H2729)(H3031)(H3233)b188
MFCD03649063
N#CC(=Cc1cc(n(c1C)c1cc(cc(c1)C(=O)O)C(=O)O)C)C(=O)Nc1ccc(cc1)F
ZINC000012468947
ZINC12468947
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