Vitas-M small molecule compound
6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-1-methyl-4-oxo-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL528316
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)nc(n(c1O)C)[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 C17H19N3O5S MW 377.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O5S/c1-19-5-4-8-6-9-13(25-7-24-9)14(23-3)10(8)12(19)11-15(21)18-17(26)20(2)16(11)22/h6,12,22H,4-5,7H2,1-3H3,(H,18,21,26)InChIKey
HMEHVKKFESRSAX-UHFFFAOYSA-NSynonyms
464171-56-04568461
464171560
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)3methyl6oxo2sulfanylidenepyrimidin4olate
6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)1methyl4oxo14dihydropyrimidine2thiolate
InChI=1SC17H19N3O5Sc1195486913(257249)14(233)10(8)12(19)1115(21)1817(26)20(2)16(11)22h61222H457H213H3(H182126)
MFCD31753845
ZINC000001322113
ZINC000001322114
Check stock
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