Vitas-M small molecule compound
ethyl (5Z)-5-(2,4-diethoxybenzylidene)-2-{[(4-methylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL371535
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(cc2OCC)OCC)/C1=O)NC(=O)c1ccc(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 C26H27NO6S MW 481.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO6S/c1-5-31-19-13-12-18(20(15-19)32-6-2)14-21-23(28)22(26(30)33-7-3)25(34-21)27-24(29)17-10-8-16(4)9-11-17/h8-15H,5-7H2,1-4H3,(H,27,29)/b21-14-InChIKey
HWFVXBIEYZDSTQ-STZFKDTASA-NSynonyms
CCOC(=O)C1=C(SC(=Cc2ccc(cc2OCC)OCC)C1=O)NC(=O)c1ccc(cc1)C
CCOC1=CC(=C(C=C1)C=C2C(=O)C(=C(S2)NC(=O)C3=CC=C(C=C3)C)C(=O)OCC)OCC
ETHYL(5Z)5((24DIETHOXYPHENYL)METHYLIDENE)2((4METHYLBENZOYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(24diethoxybenzylidene)2(((4methylphenyl)carbonyl)amino)4oxo45dihydrothiophene3carboxylate
InChI=1SC26H27NO6Sc153119131218(20(1519)3262)142123(28)22(26(30)3373)25(3421)2724(29)1710816(4)91117h815H57H214H3(H2729)b2114
MFCD03710937
ZINC000003463286
ZINC03463286
ZINC3463286
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