Vitas-M small molecule compound
8-[(4-chlorobenzyl)sulfanyl]-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK539556
SMILES CCCCCCn1c(SCc2ccc(cc2)Cl)nc2c1c(=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 C20H25ClN4O2S MW 420.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25ClN4O2S/c1-4-5-6-7-12-25-16-17(23(2)20(27)24(3)18(16)26)22-19(25)28-13-14-8-10-15(21)11-9-14/h8-11H,4-7,12-13H2,1-3H3InChIKey
JSTVRADCSKTFMO-UHFFFAOYSA-NSynonyms
384796-34-3384796343
8((4chlorobenzyl)sulfanyl)7hexyl13dimethyl37dihydro1Hpurine26dione
8((4CHLOROBENZYL)THIO)7HEXYL13DIMETHYL1HPURINE26(3H7H)DIONE
8((4CHLOROPHENYL)METHYLSULFANYL)7HEXYL13DIMETHYLPURINE26DIONE
CCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C
InChI=1SC20H25ClN4O2Sc1456712251617(23(2)20(27)24(3)18(16)26)2219(25)28131481015(21)11914h811H471213H213H3
MFCD03284151
ZINC000012377508
ZINC12377508
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