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-(2-methoxyphenyl)-4-oxo-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL528446
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)nc(n(c1O)c1ccccc1OC)[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 C23H23N3O6S MW 469.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O6S/c1-25-9-8-12-10-15-19(32-11-31-15)20(30-3)16(12)18(25)17-21(27)24-23(33)26(22(17)28)13-6-4-5-7-14(13)29-2/h4-7,10,18,28H,8-9,11H2,1-3H3,(H,24,27,33)InChIKey
KFDFMAXGZNHCSU-UHFFFAOYSA-NSynonyms
3752268
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)3(2methoxyphenyl)6oxo2sulfanylidenepyrimidin4olate
6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)1(2methoxyphenyl)4oxo14dihydropyrimidine2thiolate
InChI=1SC23H23N3O6Sc1259812101519(32113115)20(303)16(12)18(25)1721(27)2423(33)26(22(17)28)13645714(13)292h47101828H8911H213H3(H242733)
MFCD31753870
ZINC000001321282
ZINC000001321284
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