Vitas-M small molecule compound
ethyl 2-{(3E)-2-(4-tert-butylphenyl)-3-[(4-fluorophenyl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL038209
SMILES CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C(C)(C)C)/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 C28H27FN2O5S MW 522.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27FN2O5S/c1-6-36-26(35)24-15(2)30-27(37-24)31-21(16-7-11-18(12-8-16)28(3,4)5)20(23(33)25(31)34)22(32)17-9-13-19(29)14-10-17/h7-14,21,32H,6H2,1-5H3/b22-20+InChIKey
GQPQJAPXTCMWFU-LSDHQDQOSA-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)C(C)(C)C)C
CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C(C)(C)C)C(=C(c2ccc(cc2)F)O)C(=O)C1=O
ethyl2((3E)2(4tertbutylphenyl)3((4fluorophenyl)(hydroxy)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((3E)2(4TERTBUTYLPHENYL)3((4FLUOROPHENYL)HYDROXYMETHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2(5(4(TERTBUTYL)PHENYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC28H27FN2O5Sc163626(35)2415(2)3027(3724)3121(1671118(12816)28(34)5)20(23(33)25(31)34)22(32)1791319(29)141017h7142132H6H215H3b2220+
MFCD03808028
ZINC000102860506
ZINC000102860511
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.