Vitas-M small molecule compound
4-(3-{(1Z)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK183154
SMILES N#C/C(=C/c1cc(n(c1C)c1ccc(cc1)C(=O)O)C)/C(=O)Nc1cccc(c1)Br
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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 C23H18BrN3O3 MW 464.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN3O3/c1-14-10-17(15(2)27(14)21-8-6-16(7-9-21)23(29)30)11-18(13-25)22(28)26-20-5-3-4-19(24)12-20/h3-12H,1-2H3,(H,26,28)(H,29,30)/b18-11-InChIKey
WQCMDUBFZYCGMI-WQRHYEAKSA-NSynonyms
4(3((1Z)2(N(3BROMOPHENYL)CARBAMOYL)2CYANOVINYL)25DIMETHYLPYRROLYL)BENZOICACID
4(3((1Z)3((3BROMOPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOICACID
4(3((Z)3(3BROMOANILINO)2CYANO3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C(C#N)C(=O)NC3=CC(=CC=C3)Br
InChI=1SC23H18BrN3O3c1141017(15(2)27(14)218616(7921)23(29)30)1118(1325)22(28)262053419(24)1220h312H12H3(H2628)(H2930)b1811
MFCD02940722
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)C(=O)O)C)C(=O)Nc1cccc(c1)Br
ZINC000012445258
ZINC12445258
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