Vitas-M small molecule compound
methyl 4-({(2E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)phenyl]prop-2-enoyl}amino)benzoate
Catalog ID
STK087503
SMILES CCOc1cc(/C=C(/C(=O)Nc2ccc(cc2)C(=O)OC)\C#N)cc(c1O)CC=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 C23H22N2O5 MW 406.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5/c1-4-6-17-11-15(13-20(21(17)26)30-5-2)12-18(14-24)22(27)25-19-9-7-16(8-10-19)23(28)29-3/h4,7-13,26H,1,5-6H2,2-3H3,(H,25,27)/b18-12+InChIKey
JRDHSQKAKWLZHO-LDADJPATSA-NSynonyms
CCOC1=CC(=CC(=C1O)CC=C)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC
CCOc1cc(C=C(C(=O)Nc2ccc(cc2)C(=O)OC)C#N)cc(c1O)CC=C
InChI=1SC23H22N2O5c146171115(1320(21(17)26)3052)1218(1424)22(27)25199716(81019)23(28)293h471326H156H223H3(H2527)b1812+
METHYL4(((2E)2CYANO3(3ETHOXY4HYDROXY5(PROP2EN1YL)PHENYL)PROP2ENOYL)AMINO)BENZOATE
METHYL4(((E)2CYANO3(3ETHOXY4HYDROXY5PROP2ENYLPHENYL)PROP2ENOYL)AMINO)BENZOATE
MFCD04126473
STK087503
ZINC000004673134
ZINC04673134
ZINC4673134
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