Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-1-yl}benzoic acid
Catalog ID
STK180233
SMILES N#C/C(=C\c1ccc(cc1)C(=O)O)/C(=O)Nc1ccc(cc1)C
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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 C18H14N2O3 MW 306.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O3/c1-12-2-8-16(9-3-12)20-17(21)15(11-19)10-13-4-6-14(7-5-13)18(22)23/h2-10H,1H3,(H,20,21)(H,22,23)/b15-10+InChIKey
CNSVEGHUKWHXQZ-XNTDXEJSSA-NSynonyms
4((1E)2CYANO3((4METHYLPHENYL)AMINO)3OXOPROP1EN1YL)BENZOICACID
4((E)2CYANO3(4METHYLANILINO)3OXOPROP1ENYL)BENZOICACID
CC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N
InChI=1SC18H14N2O3c1122816(9312)2017(21)15(1119)10134614(7513)18(22)23h210H1H3(H2021)(H2223)b1510+
MFCD04364348
N#CC(=Cc1ccc(cc1)C(=O)O)C(=O)Nc1ccc(cc1)C
ZINC000004705189
ZINC4705189
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