Vitas-M small molecule compound
8-(1H-benzimidazol-2-ylsulfanyl)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL324043
SMILES CCCCCCCCn1c(Sc2nc3c([nH]2)cccc3)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 C21H26N6O2S MW 426.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N6O2S/c1-3-4-5-6-7-10-13-27-16-17(26(2)20(29)25-18(16)28)24-21(27)30-19-22-14-11-8-9-12-15(14)23-19/h8-9,11-12H,3-7,10,13H2,1-2H3,(H,22,23)(H,25,28,29)InChIKey
LQMMJPIPGXAMJW-UHFFFAOYSA-NSynonyms
313665-37-1313665371
8((1HBENZO(D)IMIDAZOL2YL)THIO)3METHYL7OCTYL1HPURINE26(3H7H)DIONE
8(1Hbenzimidazol2ylsulfanyl)3methyl7octyl37dihydro1Hpurine26dione
8(1HBENZIMIDAZOL2YLSULFANYL)3METHYL7OCTYLPURINE26DIONE
8(1HBENZOIMIDAZOL2YLSULFANYL)3METHYL7OCTYL37DIHYDROPURINE26DIONE
8BENZIMIDAZOL2YLTHIO3METHYL7OCTYL137TRIHYDROPURINE26DIONE
CCCCCCCCn1c(Sc2nc3c((nH)2)cccc3)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCN1C2=C(N=C1SC3=NC4=CC=CC=C4N3)N(C(=O)NC2=O)C
InChI=1SC21H26N6O2Sc1345671013271617(26(2)20(29)2518(16)28)2421(27)3019221411891215(14)2319h891112H371013H212H3(H2223)(H252829)
MFCD00612627
ZINC000050704973
ZINC50704973
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