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)-3-methyl-2-oxo-2,3-dihydropyrimidin-4-olate
Catalog ID
STL546456
SMILES COc1c2c(CC[NH+](C2c2c(O)nc(=O)n(c2[O-])C)C)cc2c1OCO2
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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 C17H19N3O6 MW 361.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O6/c1-19-5-4-8-6-9-13(26-7-25-9)14(24-3)10(8)12(19)11-15(21)18-17(23)20(2)16(11)22/h6,12,22H,4-5,7H2,1-3H3,(H,18,21,23)InChIKey
ONFNURHXJYKMHO-UHFFFAOYSA-NSynonyms
3808962
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)3methyl26dioxopyrimidin4olate
6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)3methyl2oxo23dihydropyrimidin4olate
InChI=1SC17H19N3O6c1195486913(267259)14(243)10(8)12(19)1115(21)1817(23)20(2)16(11)22h61222H457H213H3(H182123)
MFCD31756409
ZINC000020113039
ZINC000020113041
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