Vitas-M small molecule compound
methyl 2-[(3E)-3-[hydroxy(4-methylphenyl)methylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK563972
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(o1)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 C23H20N2O6S MW 452.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O6S/c1-11-5-8-14(9-6-11)18(26)16-17(15-10-7-12(2)31-15)25(21(28)19(16)27)23-24-13(3)20(32-23)22(29)30-4/h5-10,17,26H,1-4H3/b18-16+InChIKey
UQQDKOMXGSHPIQ-FBMGVBCBSA-NSynonyms
385418-89-3385418893
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=C(O4)C)O
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(cc2)C)O)C1c1ccc(o1)C
InChI=1SC23H20N2O6Sc1115814(9611)18(26)1617(1510712(2)3115)25(21(28)19(16)27)232413(3)20(3223)22(29)304h5101726H14H3b1816+
methyl2((3E)3(hydroxy(4methylphenyl)methylidene)2(5methylfuran2yl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(3HYDROXY5(5METHYL(2FURYL))4((4METHYLPHENYL)CARBONYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD03805346
ZINC000102524870
ZINC000102524877
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