Vitas-M small molecule compound
8-(1H-benzimidazol-2-ylsulfanyl)-6-hydroxy-3-methyl-7-nonyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK642981
SMILES CCCCCCCCCn1c(Sc2nc3c([nH]2)cccc3)nc2c1c(O)nc(=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 C22H28N6O2S MW 440.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N6O2S/c1-3-4-5-6-7-8-11-14-28-17-18(27(2)21(30)26-19(17)29)25-22(28)31-20-23-15-12-9-10-13-16(15)24-20/h9-10,12-13H,3-8,11,14H2,1-2H3,(H,23,24)(H,26,29,30)InChIKey
NHVFTSHDBNMCND-UHFFFAOYSA-NSynonyms
330181-25-4330181254
8(1HBENZIMIDAZOL2YLSULFANYL)3METHYL7NONYL37DIHYDRO1HPURINE26DIONE
8(1HBENZIMIDAZOL2YLSULFANYL)3METHYL7NONYLPURINE26DIONE
8(1Hbenzimidazol2ylsulfanyl)6hydroxy3methyl7nonyl37dihydro2Hpurin2one
8(1HBENZOIMIDAZOL2YLSULFANYL)3METHYL7NONYL37DIHYDROPURINE26DIONE
8BENZIMIDAZOL2YLTHIO3METHYL7NONYL137TRIHYDROPURINE26DIONE
CCCCCCCCCn1c(Sc2nc3c((nH)2)cccc3)nc2c1c(O)nc(=O)n2C
CCCCCCCCCN1C2=C(N=C1SC3=NC4=CC=CC=C4N3)N(C(=O)NC2=O)C
InChI=1SC22H28N6O2Sc13456781114281718(27(2)21(30)2619(17)29)2522(28)31202315129101316(15)2420h9101213H381114H212H3(H2324)(H262930)
MFCD18163146
ZINC000008387221
ZINC08387221
ZINC8387221
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