Vitas-M small molecule compound
8-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK667363
SMILES Brc1cc2OCOc2cc1CSc1nc2c(n1Cc1ccccc1F)c(=O)n(c(=O)n2C)C
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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 C22H18BrFN4O4S MW 533.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrFN4O4S/c1-26-19-18(20(29)27(2)22(26)30)28(9-12-5-3-4-6-15(12)24)21(25-19)33-10-13-7-16-17(8-14(13)23)32-11-31-16/h3-8H,9-11H2,1-2H3InChIKey
CNHHUFWHMKXSIO-UHFFFAOYSA-NSynonyms
8(((6bromo13benzodioxol5yl)methyl)sulfanyl)7(2fluorobenzyl)13dimethyl37dihydro1Hpurine26dione
8((6BROMO13BENZODIOXOL5YL)METHYLSULFANYL)7((2FLUOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC4=C(C=C3Br)OCO4)CC5=CC=CC=C5F
InChI=1SC22H18BrFN4O4Sc1261918(20(29)27(2)22(26)30)28(912534615(12)24)21(2519)33101371617(814(13)23)32113116h38H911H212H3
MFCD06016924
ZINC000098008015
ZINC98008015
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