Vitas-M small molecule compound
ethyl 2-{[(2E)-2-cyano-3-(4-{[(4-methylphenyl)carbonyl]oxy}phenyl)prop-2-enoyl]amino}benzoate
Catalog ID
STK949827
SMILES CCOC(=O)c1ccccc1NC(=O)/C(=C/c1ccc(cc1)OC(=O)c1ccc(cc1)C)/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 C27H22N2O5 MW 454.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O5/c1-3-33-27(32)23-6-4-5-7-24(23)29-25(30)21(17-28)16-19-10-14-22(15-11-19)34-26(31)20-12-8-18(2)9-13-20/h4-16H,3H2,1-2H3,(H,29,30)/b21-16+InChIKey
OSUVSTHSUZGWKH-LTGZKZEYSA-NSynonyms
4((1E)2CYANO2(N(2(ETHOXYCARBONYL)PHENYL)CARBAMOYL)VINYL)PHENYL4METHYLBENZOATE
CCOC(=O)C1=CC=CC=C1NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C)C#N
CCOC(=O)c1ccccc1NC(=O)C(=Cc1ccc(cc1)OC(=O)c1ccc(cc1)C)C#N
ethyl2(((2E)2cyano3(4(((4methylphenyl)carbonyl)oxy)phenyl)prop2enoyl)amino)benzoate
ethyl2(((E)2cyano3(4(4methylbenzoyl)oxyphenyl)prop2enoyl)amino)benzoate
InChI=1SC27H22N2O5c133327(32)23645724(23)2925(30)21(1728)1619101422(151119)3426(31)2012818(2)91320h416H3H212H3(H2930)b2116+
MFCD02364663
ZINC000000948763
ZINC00948763
ZINC948763
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