Vitas-M small molecule compound
ethyl 2-{(3E)-2-[4-(benzyloxy)-3-ethoxyphenyl]-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK567790
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(c(c1)OCC)OCc1ccccc1
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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 C35H32N2O9S MW 656.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H32N2O9S/c1-4-42-26-17-22(11-13-25(26)46-19-21-9-7-6-8-10-21)29-28(30(38)23-12-14-24-27(18-23)45-16-15-44-24)31(39)33(40)37(29)35-36-20(3)32(47-35)34(41)43-5-2/h6-14,17-18,29,38H,4-5,15-16,19H2,1-3H3/b30-28+InChIKey
XQWYNSVFGAVIIY-SJCQXOIGSA-NSynonyms
CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccc(c(c1)OCC)OCc1ccccc1
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC)C)OCC6=CC=CC=C6
ethyl2((3E)2(4(benzyloxy)3ethoxyphenyl)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((3E)3(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)2(3ETHOXY4PHENYLMETHOXYPHENYL)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC35H32N2O9Sc1442261722(111325(26)46192197681021)2928(30(38)2312142427(1823)4516154424)31(39)33(40)37(29)353620(3)32(4735)34(41)4352h61417182938H45151619H213H3b3028+
MFCD05733970
ZINC000150445307
ZINC000150445312
Check stock
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Check stock on Vitas-MAvailable files
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