Vitas-M small molecule compound
8-[benzyl(methyl)amino]-7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK568643
SMILES Cc1cc(C)nc(n1)SCCn1c(nc2c1c(O)nc(=O)n2C)N(Cc1ccccc1)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 C22H25N7O2S MW 451.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N7O2S/c1-14-12-15(2)24-20(23-14)32-11-10-29-17-18(28(4)22(31)26-19(17)30)25-21(29)27(3)13-16-8-6-5-7-9-16/h5-9,12H,10-11,13H2,1-4H3,(H,26,30,31)InChIKey
CCDNCTUICWYOMR-UHFFFAOYSA-NSynonyms
714253-10-8714253108
8(benzyl(methyl)amino)7(2((46dimethylpyrimidin2yl)sulfanyl)ethyl)6hydroxy3methyl37dihydro2Hpurin2one
8(BENZYL(METHYL)AMINO)7(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLETHYL)3METHYLPURINE26DIONE
CC1=CC(=NC(=N1)SCCN2C3=C(N=C2N(C)CC4=CC=CC=C4)N(C(=O)NC3=O)C)C
InChI=1SC22H25N7O2Sc1141215(2)2420(2314)321110291718(28(4)22(31)2619(17)30)2521(29)27(3)13168657916h5912H101113H214H3(H263031)
MFCD05731611
ZINC000001270681
ZINC01270681
ZINC1270681
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