Vitas-M small molecule compound
8-[(4-fluorobenzyl)sulfanyl]-1,3-dimethyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK676898
SMILES CCCCCCCCn1c(SCc2ccc(cc2)F)nc2c1c(=O)n(C)c(=O)n2C
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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 C22H29FN4O2S MW 432.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29FN4O2S/c1-4-5-6-7-8-9-14-27-18-19(25(2)22(29)26(3)20(18)28)24-21(27)30-15-16-10-12-17(23)13-11-16/h10-13H,4-9,14-15H2,1-3H3InChIKey
PDMFGTQMNDXTLE-UHFFFAOYSA-NSynonyms
1HPURINE26DIONE37DIHYDRO13DIMETHYL7OCTYL8(4FLUOROBENZYLTHIO)
8((4FLUOROBENZYL)SULFANYL)13DIMETHYL7OCTYL37DIHYDRO1HPURINE26DIONE
8((4FLUOROPHENYL)METHYLSULFANYL)13DIMETHYL7OCTYLPURINE26DIONE
CCCCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)F)N(C(=O)N(C2=O)C)C
InChI=1SC22H29FN4O2Sc145678914271819(25(2)22(29)26(3)20(18)28)2421(27)301516101217(23)131116h1013H491415H213H3
MFCD02103095
ZINC000098003574
ZINC98003574
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