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)-4-oxo-1-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL565005
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)nc(n(c1O)c1cccc(c1)C(F)(F)F)[S-]
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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 C23H20F3N3O5S MW 507.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20F3N3O5S/c1-28-7-6-11-8-14-18(34-10-33-14)19(32-2)15(11)17(28)16-20(30)27-22(35)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,27,30,35)InChIKey
YPPBUSDEFOZDFN-UHFFFAOYSA-NSynonyms
1185122-28-41185122284
3378996
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)6oxo2sulfanylidene3(3(trifluoromethyl)phenyl)pyrimidin4olate
6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)4oxo1(3(trifluoromethyl)phenyl)14dihydropyrimidine2thiolate
InChI=1SC23H20F3N3O5Sc128761181418(34103314)19(322)15(11)17(28)1620(30)2722(35)29(21(16)31)1353412(913)23(2425)26h35891731H6710H212H3(H273035)
MFCD32651626
ZINC000001322147
ZINC000001322149
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