Vitas-M small molecule compound
4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}benzoic acid
Catalog ID
STK182561
SMILES COc1ccc(cc1)NC(=O)/C(=C\c1ccc(cc1)C(=O)O)/C#N
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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 C18H14N2O4 MW 322.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O4/c1-24-16-8-6-15(7-9-16)20-17(21)14(11-19)10-12-2-4-13(5-3-12)18(22)23/h2-10H,1H3,(H,20,21)(H,22,23)/b14-10-InChIKey
HHMJVAOTSMJLQC-UVTDQMKNSA-NSynonyms
4((1Z)2CYANO2(N(4METHOXYPHENYL)CARBAMOYL)VINYL)BENZOICACID
4((1Z)2CYANO3((4METHOXYPHENYL)AMINO)3OXOPROP1EN1YL)BENZOICACID
4((Z)2CYANO3(4METHOXYANILINO)3OXOPROP1ENYL)BENZOICACID
COC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N
COc1ccc(cc1)NC(=O)C(=Cc1ccc(cc1)C(=O)O)C#N
InChI=1SC18H14N2O4c124168615(7916)2017(21)14(1119)10122413(5312)18(22)23h210H1H3(H2021)(H2223)b1410
MFCD01829711
ZINC000004722946
ZINC4722946
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