Vitas-M small molecule compound
ethyl 2-{(3E)-2-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK558876
SMILES CCOC(=O)c1sc(nc1C)N1C(c2ccc(c(c2)OC)OC)/C(=C(/c2ccc(cc2)F)\O)/C(=O)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 C26H23FN2O7S MW 526.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN2O7S/c1-5-36-25(33)23-13(2)28-26(37-23)29-20(15-8-11-17(34-3)18(12-15)35-4)19(22(31)24(29)32)21(30)14-6-9-16(27)10-7-14/h6-12,20,30H,5H2,1-4H3/b21-19+InChIKey
BENGXMMJNIGCJR-XUTLUUPISA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC=C(C=C3)F)O)C(=O)C2=O)C4=CC(=C(C=C4)OC)OC)C
CCOC(=O)c1sc(nc1C)N1C(c2ccc(c(c2)OC)OC)C(=C(c2ccc(cc2)F)O)C(=O)C1=O
ethyl2((3E)2(34dimethoxyphenyl)3((4fluorophenyl)(hydroxy)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((3E)2(34DIMETHOXYPHENYL)3((4FLUOROPHENYL)HYDROXYMETHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2(5(34DIMETHOXYPHENYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC26H23FN2O7Sc153625(33)2313(2)2826(3723)2920(1581117(343)18(1215)354)19(22(31)24(29)32)21(30)146916(27)10714h6122030H5H214H3b2119+
MFCD03805587
ZINC000102482907
ZINC000102482914
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.