Vitas-M small molecule compound
8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK684455
SMILES Nc1nc(CSc2nc3c(n2Cc2ccccc2Cl)c(=O)n(c(=O)n3C)C)nc(n1)N1CCCCC1
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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 C23H26ClN9O2S MW 528.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN9O2S/c1-30-18-17(19(34)31(2)23(30)35)33(12-14-8-4-5-9-15(14)24)22(28-18)36-13-16-26-20(25)29-21(27-16)32-10-6-3-7-11-32/h4-5,8-9H,3,6-7,10-13H2,1-2H3,(H2,25,26,27,29)InChIKey
QILIHMFDACKNSF-UHFFFAOYSA-NSynonyms
8(((4amino6(piperidin1yl)135triazin2yl)methyl)sulfanyl)7(2chlorobenzyl)13dimethyl37dihydro1Hpurine26dione
8((4AMINO6PIPERIDIN1YL135TRIAZIN2YL)METHYLSULFANYL)7((2CHLOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NC(=NC(=N3)N)N4CCCCC4)CC5=CC=CC=C5Cl
InChI=1SC23H26ClN9O2Sc1301817(19(34)31(2)23(30)35)33(1214845915(14)24)22(2818)3613162620(25)2921(2716)32106371132h4589H3671013H212H3(H225262729)
MFCD05854633
ZINC000098007082
ZINC98007082
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