Vitas-M small molecule compound

1-(butan-2-yl)-5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6-hydroxy-2-sulfanylpyrimidin-4(1H)-one

Catalog ID
STL565019
SMILES CCC(n1c(S)nc(=O)c(c1O)C1OC(=O)c2c1ccc(c2OC)OC)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 C18H20N2O6S MW 392.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O6S/c1-5-8(2)20-16(22)12(15(21)19-18(20)27)13-9-6-7-10(24-3)14(25-4)11(9)17(23)26-13/h6-8,13,22H,5H2,1-4H3,(H,19,21,27)
InChIKey
OSGJRKXNIUBYKE-UHFFFAOYSA-N
Synonyms
374767-84-7
1(butan2yl)5(45dimethoxy3oxo13dihydro2benzofuran1yl)6hydroxy2sulfanylpyrimidin4(1H)one
1(SECBUTYL)5(45DIMETHOXY3OXO13DIHYDROISOBENZOFURAN1YL)6HYDROXY2THIOXO23DIHYDROPYRIMIDIN4(1H)ONE
1butan2yl5(45dimethoxy3oxo1H2benzofuran1yl)6hydroxy2sulfanylidenepyrimidin4one
3260812
374767847
InChI=1SC18H20N2O6Sc158(2)2016(22)12(15(21)1918(20)27)1396710(243)14(254)11(9)17(23)2613h681322H5H214H3(H192127)
MFCD03804469
ZINC000002126291
ZINC000002126295

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Available files

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