Vitas-M small molecule compound
methyl 2-{(3E)-2-(3,4-dimethoxyphenyl)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL149150
SMILES COc1ccc(cc1OC)C1/C(=C(/c2ccc(c(c2)C)OC)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
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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 C27H26N2O8S MW 538.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O8S/c1-13-11-16(8-9-17(13)34-3)22(30)20-21(15-7-10-18(35-4)19(12-15)36-5)29(25(32)23(20)31)27-28-14(2)24(38-27)26(33)37-6/h7-12,21,30H,1-6H3/b22-20+InChIKey
QBQDEOCNGKKBKU-LSDHQDQOSA-NSynonyms
488128-76-3488128763
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC(=C(C=C4)OC)OC)O)OC
COc1ccc(cc1OC)C1C(=C(c2ccc(c(c2)C)OC)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
InChI=1SC27H26N2O8Sc1131116(8917(13)343)22(30)2021(1571018(354)19(1215)365)29(25(32)23(20)31)272814(2)24(3827)26(33)376h7122130H16H3b2220+
methyl2((3E)2(34dimethoxyphenyl)3(hydroxy(4methoxy3methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD03794437
ZINC000102928933
ZINC000102928934
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