Vitas-M small molecule compound
4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoic acid
Catalog ID
STK089852
SMILES N#C/C(=C/c1ccc(cc1)C(=O)O)/C(=O)Nc1ccc(cc1)Cl
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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 C17H11ClN2O3 MW 326.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11ClN2O3/c18-14-5-7-15(8-6-14)20-16(21)13(10-19)9-11-1-3-12(4-2-11)17(22)23/h1-9H,(H,20,21)(H,22,23)/b13-9-InChIKey
NGVALLYVNZYRHU-LCYFTJDESA-NSynonyms
4((1Z)2(N(4CHLOROPHENYL)CARBAMOYL)2CYANOVINYL)BENZOICACID
4((1Z)3((4CHLOROPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)BENZOICACID
4((Z)3(4CHLOROANILINO)2CYANO3OXOPROP1ENYL)BENZOICACID
C1=CC(=CC=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)C(=O)O
InChI=1SC17H11ClN2O3c18145715(8614)2016(21)13(1019)9111312(4211)17(22)23h19H(H2021)(H2223)b139
MFCD02052195
N#CC(=Cc1ccc(cc1)C(=O)O)C(=O)Nc1ccc(cc1)Cl
STK089852
ZINC000013894489
ZINC13894489
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