Vitas-M small molecule compound
7-benzyl-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK529082
SMILES CCCCCCCCCCCCSc1nc2c(n1Cc1ccccc1)c(=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 C25H36N4O2S MW 456.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36N4O2S/c1-3-4-5-6-7-8-9-10-11-15-18-32-25-26-22-21(23(30)27-24(31)28(22)2)29(25)19-20-16-13-12-14-17-20/h12-14,16-17H,3-11,15,18-19H2,1-2H3,(H,27,30,31)InChIKey
NTIFCVKMZOGYNE-UHFFFAOYSA-NSynonyms
328071-62-1328071621
7benzyl8(dodecylsulfanyl)3methyl37dihydro1Hpurine26dione
7benzyl8(dodecylthio)3methyl1Hpurine26(3H7H)dione
7BENZYL8DODECYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
7BENZYL8DODECYLSULFANYL3METHYLPURINE26DIONE
8DODECYLTHIO3METHYL7BENZYL137TRIHYDROPURINE26DIONE
CCCCCCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C
CCCCCCCCCCCCSc1nc2c(n1Cc1ccccc1)c(=O)(nH)c(=O)n2C
InChI=1SC25H36N4O2Sc13456789101115183225262221(23(30)2724(31)28(22)2)29(25)1920161312141720h12141617H311151819H212H3(H273031)
MFCD01080078
ZINC000008398589
ZINC8398589
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