Vitas-M small molecule compound
1,3-dimethyl-7-(2-methylbenzyl)-8-[(pyridin-2-ylmethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK772827
SMILES Cc1ccccc1Cn1c(SCc2ccccn2)nc2c1c(=O)n(c(=O)n2C)C
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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 C21H21N5O2S MW 407.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S/c1-14-8-4-5-9-15(14)12-26-17-18(24(2)21(28)25(3)19(17)27)23-20(26)29-13-16-10-6-7-11-22-16/h4-11H,12-13H2,1-3H3InChIKey
XUIKQTIHLDHJNL-UHFFFAOYSA-NSynonyms
13DIMETHYL7((2METHYLPHENYL)METHYL)8(PYRIDIN2YLMETHYLSULFANYL)PURINE26DIONE
13dimethyl7(2methylbenzyl)8((pyridin2ylmethyl)sulfanyl)37dihydro1Hpurine26dione
CC1=CC=CC=C1CN2C3=C(N=C2SCC4=CC=CC=N4)N(C(=O)N(C3=O)C)C
InChI=1SC21H21N5O2Sc114845915(14)12261718(24(2)21(28)25(3)19(17)27)2320(26)2913161067112216h411H1213H213H3
MFCD03820834
ZINC000001078453
ZINC01078453
ZINC1078453
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