Vitas-M small molecule compound
7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK843889
SMILES Cn1c(=O)n(C)c2c(c1=O)n(CCSc1nc3c([nH]1)cccc3)c(n2)Br
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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 C16H15BrN6O2S MW 435.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN6O2S/c1-21-12-11(13(24)22(2)16(21)25)23(14(17)20-12)7-8-26-15-18-9-5-3-4-6-10(9)19-15/h3-6H,7-8H2,1-2H3,(H,18,19)InChIKey
XHRWZZUFTWWWMN-UHFFFAOYSA-NSynonyms
476482-03-8476482038
7(2((1HBENZO(D)IMIDAZOL2YL)THIO)ETHYL)8BROMO13DIMETHYL1HPURINE26(3H7H)DIONE
7(2(1Hbenzimidazol2ylsulfanyl)ethyl)8bromo13dimethyl37dihydro1Hpurine26dione
7(2(1HBENZIMIDAZOL2YLSULFANYL)ETHYL)8BROMO13DIMETHYLPURINE26DIONE
7(2BENZIMIDAZOL2YLTHIOETHYL)8BROMO13DIMETHYL137TRIHYDROPURINE26DIONE
Cn1c(=O)n(C)c2c(c1=O)n(CCSc1nc3c((nH)1)cccc3)c(n2)Br
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCSC3=NC4=CC=CC=C4N3
InChI=1SC16H15BrN6O2Sc1211211(13(24)22(2)16(21)25)23(14(17)2012)782615189534610(9)1915h36H78H212H3(H1819)
MFCD03671948
ZINC000001298980
ZINC01298980
ZINC1298980
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