Vitas-M small molecule compound
prop-2-en-1-yl 2-{(3E)-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL052349
SMILES C=CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1ccc(c(c1)OCC)OCCC(C)C
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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 C35H38N2O8S MW 646.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H38N2O8S/c1-7-14-44-34(41)32-21(6)36-35(46-32)37-29(22-9-12-26(27(18-22)42-8-2)43-15-13-19(3)4)28(31(39)33(37)40)30(38)23-10-11-25-24(17-23)16-20(5)45-25/h7,9-12,17-20,29,38H,1,8,13-16H2,2-6H3/b30-28+InChIKey
JIBTYEHTTBGWEJ-SJCQXOIGSA-NSynonyms
893697-59-1893697591
C=CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1ccc(c(c1)OCC)OCCC(C)C
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC=C)C)OCCC(C)C
InChI=1SC35H38N2O8Sc17144434(41)3221(6)3635(4632)3729(2291226(27(1822)4282)43151319(3)4)28(31(39)33(37)40)30(38)2310112524(1723)1620(5)4525h791217202938H181316H226H3b3028+
MFCD05727191
prop2en1yl2((3E)2(3ethoxy4(3methylbutoxy)phenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
PROP2ENYL2((3E)2(3ETHOXY4(3METHYLBUTOXY)PHENYL)3(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000150460267
ZINC000150460282
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