Vitas-M small molecule compound
ethyl 2-[(3E)-3-{[4-(benzyloxy)-3-methylphenyl](hydroxy)methylidene}-2-(4-tert-butylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL040831
SMILES CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C(C)(C)C)/C(=C(/c2ccc(c(c2)C)OCc2ccccc2)\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 C36H36N2O6S MW 624.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36N2O6S/c1-7-43-34(42)32-22(3)37-35(45-32)38-29(24-13-16-26(17-14-24)36(4,5)6)28(31(40)33(38)41)30(39)25-15-18-27(21(2)19-25)44-20-23-11-9-8-10-12-23/h8-19,29,39H,7,20H2,1-6H3/b30-28+InChIKey
MJIBKGXUHNYANO-SJCQXOIGSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC(=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C2=O)C5=CC=C(C=C5)C(C)(C)C)C
CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C(C)(C)C)C(=C(c2ccc(c(c2)C)OCc2ccccc2)O)C(=O)C1=O
ETHYL2((3E)2(4TERTBUTYLPHENYL)3(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2((3E)3((4(benzyloxy)3methylphenyl)(hydroxy)methylidene)2(4tertbutylphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC36H36N2O6Sc174334(42)3222(3)3735(4532)3829(24131626(171424)36(45)6)28(31(40)33(38)41)30(39)25151827(21(2)1925)4420231198101223h8192939H720H216H3b3028+
MFCD05730910
ZINC000102869892
ZINC000102869896
Check stock
See real-time availability and sample size for STL040831 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.