Vitas-M small molecule compound
7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-bromo-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK569926
SMILES Cn1c(=O)nc(c2c1nc(n2CCSc1nc2c([nH]1)cccc2)Br)O
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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 C15H13BrN6O2S MW 421.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13BrN6O2S/c1-21-11-10(12(23)20-15(21)24)22(13(16)19-11)6-7-25-14-17-8-4-2-3-5-9(8)18-14/h2-5H,6-7H2,1H3,(H,17,18)(H,20,23,24)InChIKey
XXBXBYXMPIWJMU-UHFFFAOYSA-NSynonyms
714283-46-27(2((1HBENZO(D)IMIDAZOL2YL)THIO)ETHYL)8BROMO3METHYL1HPURINE26(3H7H)DIONE
7(2(1HBENZIMIDAZOL2YLSULFANYL)ETHYL)8BROMO3METHYLPURINE26DIONE
7(2(1Hbenzimidazol2ylsulfanyl)ethyl)8bromo6hydroxy3methyl37dihydro2Hpurin2one
7(2BENZIMIDAZOL2YLTHIOETHYL)8BROMO3METHYL137TRIHYDROPURINE26DIONE
714283462
Cn1c(=O)nc(c2c1nc(n2CCSc1nc2c((nH)1)cccc2)Br)O
CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCSC3=NC4=CC=CC=C4N3
InChI=1SC15H13BrN6O2Sc1211110(12(23)2015(21)24)22(13(16)1911)67251417842359(8)1814h25H67H21H3(H1718)(H202324)
MFCD05726018
ZINC000001287916
ZINC01287916
ZINC1287916
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