Vitas-M small molecule compound
5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-2,6-dioxo-3-(2,4,6-trimethylphenyl)-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL526018
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1c(C)cc(cc1C)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 C25H27N3O6 MW 465.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O6/c1-12-8-13(2)19(14(3)9-12)28-24(30)18(23(29)26-25(28)31)20-17-15(6-7-27(20)4)10-16-21(22(17)32-5)34-11-33-16/h8-10,20,30H,6-7,11H2,1-5H3,(H,26,29,31)InChIKey
DFMWUVYQRFRFQM-UHFFFAOYSA-NSynonyms
3788556
3mesityl5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxo1236tetrahydropyrimidin4olate
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxo3(246trimethylphenyl)1236tetrahydropyrimidin4olate
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxo3(246trimethylphenyl)pyrimidin4olate
COc1c2OCOc2cc2c1C((NH+)(CC2)C)c1c(=O)(nH)c(=O)n(c1(O))c1c(C)cc(cc1C)C
InChI=1SC25H27N3O6c112813(2)19(14(3)912)2824(30)18(23(29)2625(28)31)201715(6727(20)4)101621(22(17)325)34113316h8102030H6711H215H3(H262931)
MFCD03266763
ZINC000020412603
ZINC000020412607
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