Vitas-M small molecule compound
methyl 2-{(3E)-2-(furan-2-yl)-3-[hydroxy(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL038304
SMILES COc1ccc(cc1)/C(=C\1/C(c2ccco2)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)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 C22H18N2O7S MW 454.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O7S/c1-11-19(21(28)30-3)32-22(23-11)24-16(14-5-4-10-31-14)15(18(26)20(24)27)17(25)12-6-8-13(29-2)9-7-12/h4-10,16,25H,1-3H3/b17-15+InChIKey
ISTARRFRYKFZAR-BMRADRMJSA-NSynonyms
371209-99-32(2FURAN2YL4HYDROXY3(4METHOXYBENZOYL)5OXO25DIHYDROPYRROL1YL)4METHYLTHIAZOLE5CARBOXYLICACIDMETHYLESTER
371209993
CC1=C(SC(=N1)N2C(C(=C(C3=CC=C(C=C3)OC)O)C(=O)C2=O)C4=CC=CO4)C(=O)OC
COc1ccc(cc1)C(=C1C(c2ccco2)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)O
InChI=1SC22H18N2O7Sc11119(21(28)303)3222(2311)2416(1454103114)15(18(26)20(24)27)17(25)126813(292)9712h4101625H13H3b1715+
methyl2((3E)2(furan2yl)3(hydroxy(4methoxyphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(5(2FURYL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD03815839
ZINC000102860646
ZINC000102860648
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