Vitas-M small molecule compound
3-(3,4-dimethylphenyl)-2-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-6-oxo-3,6-dihydropyrimidin-4-olate
Catalog ID
STL528670
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)nc(n(c1[O-])c1ccc(c(c1)C)C)O
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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 C24H25N3O6 MW 451.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O6/c1-12-5-6-15(9-13(12)2)27-23(29)18(22(28)25-24(27)30)19-17-14(7-8-26(19)3)10-16-20(21(17)31-4)33-11-32-16/h5-6,9-10,19,29H,7-8,11H2,1-4H3,(H,25,28,30)InChIKey
QRLXTXLTQAOOBH-UHFFFAOYSA-NSynonyms
1189498-41-61189498416
3(34dimethylphenyl)2hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)6oxo36dihydropyrimidin4olate
3(34dimethylphenyl)5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxopyrimidin4olate
4979112
InChI=1SC24H25N3O6c1125615(913(12)2)2723(29)18(22(28)2524(27)30)191714(7826(19)3)101620(21(17)314)33113216h569101929H7811H214H3(H252830)
MFCD31753895
ZINC000001318109
ZINC000001318110
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