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-(naphthalen-1-yl)-2-oxo-2,3-dihydropyrimidin-4-olate
Catalog ID
STL546753
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(O)nc(=O)n(c1[O-])c1cccc2c1cccc2
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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 C26H23N3O6 MW 473.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O6/c1-28-11-10-15-12-18-22(35-13-34-18)23(33-2)19(15)21(28)20-24(30)27-26(32)29(25(20)31)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12,21,31H,10-11,13H2,1-2H3,(H,27,30,32)InChIKey
BDIJMHITTWIUTE-UHFFFAOYSA-NSynonyms
4317362
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)3naphthalen1yl26dioxopyrimidin4olate
6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)3(naphthalen1yl)2oxo23dihydropyrimidin4olate
InChI=1SC26H23N3O6c128111015121822(35133418)23(332)19(15)21(28)2024(30)2726(32)29(25(20)31)1795714634816(14)17h39122131H101113H212H3(H273032)
MFCD31756452
ZINC000020411719
ZINC000020411722
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