Vitas-M small molecule compound
1-(4-bromophenyl)-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-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL528279
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)nc(n(c1O)c1ccc(cc1)Br)[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 C22H20BrN3O5S MW 518.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O5S/c1-25-8-7-11-9-14-18(31-10-30-14)19(29-2)15(11)17(25)16-20(27)24-22(32)26(21(16)28)13-5-3-12(23)4-6-13/h3-6,9,17,28H,7-8,10H2,1-2H3,(H,24,27,32)InChIKey
FSHLQKDWELAEDK-UHFFFAOYSA-NSynonyms
1184997-29-21(4bromophenyl)6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)4oxo14dihydropyrimidine2thiolate
1184997292
3(4bromophenyl)5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)6oxo2sulfanylidenepyrimidin4olate
4388497
InChI=1SC22H20BrN3O5Sc125871191418(31103014)19(292)15(11)17(25)1620(27)2422(32)26(21(16)28)135312(23)4613h3691728H7810H212H3(H242732)
MFCD31753838
ZINC000001322720
ZINC000001322722
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