Vitas-M small molecule compound
5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)-2-sulfanylpyrimidin-4(1H)-one
Catalog ID
STL528328
SMILES COc1ccc(cc1)n1c(S)nc(=O)c(c1O)C1OC(=O)c2c1ccc(c2OC)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 C21H18N2O7S MW 442.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7S/c1-27-11-6-4-10(5-7-11)23-19(25)15(18(24)22-21(23)31)16-12-8-9-13(28-2)17(29-3)14(12)20(26)30-16/h4-9,16,25H,1-3H3,(H,22,24,31)InChIKey
KDLXEDNOLRKPFB-UHFFFAOYSA-NSynonyms
376381-78-13731895
376381781
5(45dimethoxy3oxo1~(H)2benzofuran1yl)6hydroxy1(4methoxyphenyl)2sulfanylidenepyrimidin4one
5(45dimethoxy3oxo13dihydro2benzofuran1yl)6hydroxy1(4methoxyphenyl)2sulfanylpyrimidin4(1H)one
5(45DIMETHOXY3OXO13DIHYDROISOBENZOFURAN1YL)6HYDROXY1(4METHOXYPHENYL)2THIOXO23DIHYDROPYRIMIDIN4(1H)ONE
5(45DIMETHOXY3OXO1H2BENZOFURAN1YL)6HYDROXY1(4METHOXYPHENYL)2SULFANYLIDENEPYRIMIDIN4ONE
InChI=1SC21H18N2O7Sc127116410(5711)2319(25)15(18(24)2221(23)31)16128913(282)17(293)14(12)20(26)3016h491625H13H3(H222431)
MFCD03807445
ZINC000002119081
ZINC000002119082
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