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-phenyl-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL528380
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)nc(n(c1O)c1ccccc1)[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 C22H21N3O5S MW 439.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5S/c1-24-9-8-12-10-14-18(30-11-29-14)19(28-2)15(12)17(24)16-20(26)23-22(31)25(21(16)27)13-6-4-3-5-7-13/h3-7,10,17,27H,8-9,11H2,1-2H3,(H,23,26,31)InChIKey
XPLWETOKXLDOMT-UHFFFAOYSA-NSynonyms
3776730
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)6oxo3phenyl2sulfanylidenepyrimidin4olate
6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)4oxo1phenyl14dihydropyrimidine2thiolate
InChI=1SC22H21N3O5Sc1249812101418(30112914)19(282)15(12)17(24)1620(26)2322(31)25(21(16)27)136435713h37101727H8911H212H3(H232631)
MFCD31753857
ZINC000001322285
ZINC000001322287
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