Vitas-M small molecule compound

8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK848252
SMILES CC1CC(C)CN(C1)c1nc2c(n1CCSc1ncccn1)c(=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 C20H27N7O2S MW 429.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N7O2S/c1-13-10-14(2)12-26(11-13)19-23-16-15(17(28)25(4)20(29)24(16)3)27(19)8-9-30-18-21-6-5-7-22-18/h5-7,13-14H,8-12H2,1-4H3
InChIKey
XVGHTSDUGWIMLB-UHFFFAOYSA-N
Synonyms
850914-67-9
8(35DIMETHYL1PIPERIDINYL)13DIMETHYL7(2(2PYRIMIDINYLTHIO)ETHYL)PURINE26DIONE
8(35dimethylpiperidin1yl)13dimethyl7(2(pyrimidin2ylsulfanyl)ethyl)37dihydro1Hpurine26dione
8(35DIMETHYLPIPERIDIN1YL)13DIMETHYL7(2(PYRIMIDIN2YLTHIO)ETHYL)1HPURINE26(3H7H)DIONE
8(35DIMETHYLPIPERIDIN1YL)13DIMETHYL7(2PYRIMIDIN2YLSULFANYLETHYL)PURINE26DIONE
8(35DIMETHYLPIPERIDINO)13DIMETHYL7(2(2PYRIMIDYLTHIO)ETHYL)XANTHINE
850914679
CC1CC(CN(C1)C2=NC3=C(N2CCSC4=NC=CC=N4)C(=O)N(C(=O)N3C)C)C
InChI=1SC20H27N7O2Sc1131014(2)1226(1113)19231615(17(28)25(4)20(29)24(16)3)27(19)893018216572218h571314H812H214H3
MFCD04456940
ZINC000006530685
ZINC000013144660

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Available files

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