Vitas-M small molecule compound
1-(4-fluorobenzyl)-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
STL528311
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)nc(n(c1O)Cc1ccc(cc1)F)[S-]
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C23H22FN3O5S MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FN3O5S/c1-26-8-7-13-9-15-19(32-11-31-15)20(30-2)16(13)18(26)17-21(28)25-23(33)27(22(17)29)10-12-3-5-14(24)6-4-12/h3-6,9,18,29H,7-8,10-11H2,1-2H3,(H,25,28,33)InChIKey
PBMSVKFKXYPMSE-UHFFFAOYSA-NSynonyms
1(4fluorobenzyl)6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)4oxo14dihydropyrimidine2thiolate
3((4fluorophenyl)methyl)5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)6oxo2sulfanylidenepyrimidin4olate
3823588
InChI=1SC23H22FN3O5Sc126871391519(32113115)20(302)16(13)18(26)1721(28)2523(33)27(22(17)29)10123514(24)6412h3691829H781011H212H3(H252833)
MFCD31753843
ZINC000001320193
ZINC000001320195
Check stock
See real-time availability and sample size for STL528311 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.