Vitas-M small molecule compound
8-(1H-benzimidazol-2-ylsulfanyl)-7-(2-chlorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK597090
SMILES Clc1ccccc1Cn1c(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 C20H15ClN6O2S MW 438.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN6O2S/c1-26-16-15(17(28)25-19(26)29)27(10-11-6-2-3-7-12(11)21)20(24-16)30-18-22-13-8-4-5-9-14(13)23-18/h2-9H,10H2,1H3,(H,22,23)(H,25,28,29)InChIKey
GQPRLZURSUIKAZ-UHFFFAOYSA-NSynonyms
879468-76-58(1HBENZIMIDAZOL2YLSULFANYL)7((2CHLOROPHENYL)METHYL)3METHYLPURINE26DIONE
8(1Hbenzimidazol2ylsulfanyl)7(2chlorobenzyl)6hydroxy3methyl37dihydro2Hpurin2one
879468765
8BENZIMIDAZOL2YLTHIO7((2CHLOROPHENYL)METHYL)3METHYL137TRIHYDROPURINE26DIONE
Clc1ccccc1Cn1c(Sc2nc3c((nH)2)cccc3)nc2c1c(O)nc(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4N3)CC5=CC=CC=C5Cl
InChI=1SC20H15ClN6O2Sc1261615(17(28)2519(26)29)27(1011623712(11)21)20(2416)30182213845914(13)2318h29H10H21H3(H2223)(H252829)
MFCD07211807
ZINC000002241531
ZINC02241531
ZINC2241531
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