Vitas-M small molecule compound
methyl 2-{(3E)-2-(4-ethoxy-3-methoxyphenyl)-3-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL055756
SMILES CCOc1ccc(cc1OC)C1N(c2sc(c(n2)C)C(=O)OC)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)OC)/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 C28H28N2O8S MW 552.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O8S/c1-7-38-19-11-8-16(13-20(19)36-5)22-21(23(31)18-10-9-17(35-4)12-14(18)2)24(32)26(33)30(22)28-29-15(3)25(39-28)27(34)37-6/h8-13,22,31H,7H2,1-6H3/b23-21+InChIKey
MIXLQGARCOYAIS-XTQSDGFTSA-NSynonyms
CCOC1=C(C=C(C=C1)C2C(=C(C3=C(C=C(C=C3)OC)C)O)C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OC)C)OC
CCOc1ccc(cc1OC)C1N(c2sc(c(n2)C)C(=O)OC)C(=O)C(=O)C1=C(c1ccc(cc1C)OC)O
InChI=1SC28H28N2O8Sc17381911816(1320(19)365)2221(23(31)1810917(354)1214(18)2)24(32)26(33)30(22)282915(3)25(3928)27(34)376h8132231H7H216H3b2321+
methyl2((3E)2(4ethoxy3methoxyphenyl)3(hydroxy(4methoxy2methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(2(4ETHOXY3METHOXYPHENYL)4HYDROXY3(4METHOXY2METHYLBENZOYL)5OXO25DIHYDRO1HPYRROL1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD05737111
ZINC000102895301
ZINC000102895303
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