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)-1-(3-methylphenyl)-4-oxo-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL528355
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)nc(n(c1O)c1cccc(c1)C)[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 C23H23N3O5S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5S/c1-12-5-4-6-14(9-12)26-22(28)17(21(27)24-23(26)32)18-16-13(7-8-25(18)2)10-15-19(20(16)29-3)31-11-30-15/h4-6,9-10,18,28H,7-8,11H2,1-3H3,(H,24,27,32)InChIKey
UCYDJWXCZOUPEJ-UHFFFAOYSA-NSynonyms
4272679
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)3(3methylphenyl)6oxo2sulfanylidenepyrimidin4olate
6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)1(3methylphenyl)4oxo14dihydropyrimidine2thiolate
InChI=1SC23H23N3O5Sc11254614(912)2622(28)17(21(27)2423(26)32)181613(7825(18)2)101519(20(16)293)31113015h469101828H7811H213H3(H242732)
MFCD31753854
ZINC000001322953
ZINC000001322954
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