Vitas-M small molecule compound
3-(3-{(1E)-3-[(4-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK183550
SMILES N#C/C(=C\c1cc(n(c1C)c1cccc(c1)C(=O)O)C)/C(=O)Nc1ccc(cc1)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)21-5-3-4-16(12-21)23(29)30)11-18(13-25)22(28)26-20-8-6-19(24)7-9-20/h3-12H,1-2H3,(H,26,28)(H,29,30)/b18-11+InChIKey
OMOWIIBOMCWSBJ-WOJGMQOQSA-NSynonyms
3(3((1E)3((4BROMOPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOICACID
3(3((E)3(4BROMOANILINO)2CYANO3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)Br
InChI=1SC23H18BrN3O3c1141017(15(2)27(14)2153416(1221)23(29)30)1118(1325)22(28)26208619(24)7920h312H12H3(H2628)(H2930)b1811+
MFCD04599783
N#CC(=Cc1cc(n(c1C)c1cccc(c1)C(=O)O)C)C(=O)Nc1ccc(cc1)Br
ZINC000015013332
ZINC15013332
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