Vitas-M small molecule compound
ethyl (5Z)-5-(2,5-dimethoxybenzylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK027734
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(OC)ccc2OC)/C1=O
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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 C22H21NO5S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5S/c1-4-28-22(25)19-20(24)18(29-21(19)23-15-8-6-5-7-9-15)13-14-12-16(26-2)10-11-17(14)27-3/h5-13,23H,4H2,1-3H3/b18-13-InChIKey
GMSYKMHLPXSKLN-AQTBWJFISA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(OC)ccc2OC)C1=O
CCOC(=O)C1=C(SC(=CC2=C(C=CC(=C2)OC)OC)C1=O)NC3=CC=CC=C3
ETHYL(5Z)2ANILINO5((25DIMETHOXYPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(25DIMETHOXYBENZYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC22H21NO5Sc142822(25)1920(24)18(2921(19)23158657915)13141216(262)101117(14)273h51323H4H213H3b1813
MFCD08050146
STK027734
ZINC000004562123
ZINC04562123
ZINC4562123
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