Vitas-M small molecule compound
3-(2-{(1E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK005068
SMILES N#C/C(=C\c1cccn1c1cccc(c1)C(=O)O)/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 C21H14BrN3O3 MW 436.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrN3O3/c22-16-5-2-6-17(12-16)24-20(26)15(13-23)11-19-8-3-9-25(19)18-7-1-4-14(10-18)21(27)28/h1-12H,(H,24,26)(H,27,28)/b15-11+InChIKey
FTMWMSPRWKSOKF-RVDMUPIBSA-NSynonyms
3(2((1E)3((3BROMOPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)1HPYRROL1YL)BENZOICACID
3(2((E)3(3BROMOANILINO)2CYANO3OXOPROP1ENYL)PYRROL1YL)BENZOICACID
C1=CC(=CC(=C1)N2C=CC=C2C=C(C#N)C(=O)NC3=CC(=CC=C3)Br)C(=O)O
InChI=1SC21H14BrN3O3c221652617(1216)2420(26)15(1323)111983925(19)1871414(1018)21(27)28h112H(H2426)(H2728)b1511+
MFCD03923562
N#CC(=Cc1cccn1c1cccc(c1)C(=O)O)C(=O)Nc1cccc(c1)Br
STK005068
ZINC000008916688
ZINC8916688
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