Vitas-M small molecule compound
5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6-hydroxy-2-sulfanyl-1-(3,4,5-trimethoxyphenyl)pyrimidin-4(1H)-one
Catalog ID
STL528386
SMILES COc1c(OC)ccc2c1C(=O)OC2c1c(=O)nc(n(c1O)c1cc(OC)c(c(c1)OC)OC)S
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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 C23H22N2O9S MW 502.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O9S/c1-29-12-7-6-11-15(19(12)33-5)22(28)34-17(11)16-20(26)24-23(35)25(21(16)27)10-8-13(30-2)18(32-4)14(9-10)31-3/h6-9,17,27H,1-5H3,(H,24,26,35)InChIKey
ZEDIXYMNLUJLNI-UHFFFAOYSA-NSynonyms
376380-00-63693018
376380006
5(45dimethoxy3oxo1~(H)2benzofuran1yl)6hydroxy2sulfanylidene1(345trimethoxyphenyl)pyrimidin4one
5(45dimethoxy3oxo13dihydro2benzofuran1yl)6hydroxy2sulfanyl1(345trimethoxyphenyl)pyrimidin4(1H)one
5(45DIMETHOXY3OXO13DIHYDROISOBENZOFURAN1YL)6HYDROXY2THIOXO1(345TRIMETHOXYPHENYL)23DIHYDROPYRIMIDIN4(1H)ONE
5(45DIMETHOXY3OXO1H2BENZOFURAN1YL)6HYDROXY2SULFANYLIDENE1(345TRIMETHOXYPHENYL)PYRIMIDIN4ONE
InChI=1SC23H22N2O9Sc12912761115(19(12)335)22(28)3417(11)1620(26)2423(35)25(21(16)27)10813(302)18(324)14(910)313h691727H15H3(H242635)
MFCD03805034
ZINC000017138505
ZINC000017138507
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