Vitas-M small molecule compound
8-(benzylsulfanyl)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK529276
SMILES CCCCCCCCn1c(SCc2ccccc2)nc2c1c(=O)[nH]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 C21H28N4O2S MW 400.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O2S/c1-3-4-5-6-7-11-14-25-17-18(24(2)20(27)23-19(17)26)22-21(25)28-15-16-12-9-8-10-13-16/h8-10,12-13H,3-7,11,14-15H2,1-2H3,(H,23,26,27)InChIKey
YKIHGVDBCPLPKT-UHFFFAOYSA-NSynonyms
331236-37-4331236374
3METHYL7OCTYL8(PHENYLMETHYLTHIO)137TRIHYDROPURINE26DIONE
8(benzylsulfanyl)3methyl7octyl37dihydro1Hpurine26dione
8(benzylthio)3methyl7octyl1Hpurine26(3H7H)dione
8BENZYLSULFANYL3METHYL7OCTYL37DIHYDROPURINE26DIONE
8BENZYLSULFANYL3METHYL7OCTYLPURINE26DIONE
CCCCCCCCn1c(SCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC21H28N4O2Sc1345671114251718(24(2)20(27)2319(17)26)2221(25)2815161298101316h8101213H37111415H212H3(H232627)
MFCD00612616
ZINC000008434863
ZINC08434863
ZINC8434863
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