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-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL526792
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1cccc(c1)C(F)(F)F
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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 C23H20F3N3O6 MW 491.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20F3N3O6/c1-28-7-6-11-8-14-18(35-10-34-14)19(33-2)15(11)17(28)16-20(30)27-22(32)29(21(16)31)13-5-3-4-12(9-13)23(24,25)26/h3-5,8-9,17,31H,6-7,10H2,1-2H3,(H,27,30,32)InChIKey
ODLQDVDEFWHAOD-UHFFFAOYSA-NSynonyms
3738970
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxo3(3(trifluoromethyl)phenyl)1236tetrahydropyrimidin4olate
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxo3(3(trifluoromethyl)phenyl)pyrimidin4olate
COc1c2OCOc2cc2c1C((NH+)(CC2)C)c1c(=O)(nH)c(=O)n(c1(O))c1cccc(c1)C(F)(F)F
InChI=1SC23H20F3N3O6c128761181418(35103414)19(332)15(11)17(28)1620(30)2722(32)29(21(16)31)1353412(913)23(2425)26h35891731H6710H212H3(H273032)
MFCD31753815
ZINC000020113162
ZINC000020113164
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