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-methoxyphenyl)-4-oxo-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL528447
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)nc(n(c1O)c1cccc(c1)OC)[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/c1-25-8-7-12-9-15-19(32-11-31-15)20(30-3)16(12)18(25)17-21(27)24-23(33)26(22(17)28)13-5-4-6-14(10-13)29-2/h4-6,9-10,18,28H,7-8,11H2,1-3H3,(H,24,27,33)InChIKey
RMEMIVLPAKLYAY-UHFFFAOYSA-NSynonyms
3815737
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)3(3methoxyphenyl)6oxo2sulfanylidenepyrimidin4olate
6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)1(3methoxyphenyl)4oxo14dihydropyrimidine2thiolate
InChI=1SC23H23N3O6Sc125871291519(32113115)20(303)16(12)18(25)1721(27)2423(33)26(22(17)28)1354614(1013)292h469101828H7811H213H3(H242733)
MFCD31753871
ZINC000001321472
ZINC000001321474
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