Vitas-M small molecule compound
ethyl 2-[(3E)-3-{[4-(benzyloxy)-3-methylphenyl](hydroxy)methylidene}-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL042180
SMILES CCOc1ccc(cc1OC)C1N(c2nc(c(s2)C(=O)OCC)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCc1ccccc1)/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 C35H34N2O8S MW 642.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34N2O8S/c1-6-43-26-16-13-23(18-27(26)42-5)29-28(31(39)33(40)37(29)35-36-21(4)32(46-35)34(41)44-7-2)30(38)24-14-15-25(20(3)17-24)45-19-22-11-9-8-10-12-22/h8-18,29,38H,6-7,19H2,1-5H3/b30-28+InChIKey
QSUZWZDAXVEFJU-SJCQXOIGSA-NSynonyms
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC)C)OC
CCOc1ccc(cc1OC)C1N(c2nc(c(s2)C(=O)OCC)C)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCc1ccccc1)O
ETHYL2((3E)2(4ETHOXY3METHOXYPHENYL)3(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ethyl2((3E)3((4(benzyloxy)3methylphenyl)(hydroxy)methylidene)2(4ethoxy3methoxyphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC35H34N2O8Sc164326161323(1827(26)425)2928(31(39)33(40)37(29)353621(4)32(4635)34(41)4472)30(38)24141525(20(3)1724)4519221198101222h8182938H6719H215H3b3028+
MFCD05730455
ZINC000150427654
ZINC000150427658
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.