Vitas-M small molecule compound
8-(3,5-dimethylpiperidin-1-yl)-7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL006901
SMILES Cc1cc(C)nc(n1)SCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CC(C)CC(C1)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 C22H31N7O2S MW 457.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N7O2S/c1-13-9-14(2)12-28(11-13)21-25-18-17(19(30)27(6)22(31)26(18)5)29(21)7-8-32-20-23-15(3)10-16(4)24-20/h10,13-14H,7-9,11-12H2,1-6H3InChIKey
ORGSKXYKTSCBKW-UHFFFAOYSA-NSynonyms
839680-91-08(35dimethylpiperidin1yl)7(2((46dimethylpyrimidin2yl)sulfanyl)ethyl)13dimethyl37dihydro1Hpurine26dione
8(35dimethylpiperidin1yl)7(2((46dimethylpyrimidin2yl)thio)ethyl)13dimethyl1Hpurine26(3H7H)dione
8(35DIMETHYLPIPERIDIN1YL)7(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLETHYL)13DIMETHYLPURINE26DIONE
8(35DIMETHYLPIPERIDYL)7(2(46DIMETHYLPYRIMIDIN2YLTHIO)ETHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
839680910
CC1CC(CN(C1)C2=NC3=C(N2CCSC4=NC(=CC(=N4)C)C)C(=O)N(C(=O)N3C)C)C
InChI=1SC22H31N7O2Sc113914(2)1228(1113)21251817(19(30)27(6)22(31)26(18)5)29(21)7832202315(3)1016(4)2420h101314H791112H216H3
MFCD04186641
ZINC000009001543
ZINC000012531500
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