Vitas-M small molecule compound
7-benzyl-1,3-dimethyl-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL339970
SMILES Cn1c(=O)n(C)c(=O)c2c1nc(n2Cc1ccccc1)SCCN1CCCCC1
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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 C21H27N5O2S MW 413.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O2S/c1-23-18-17(19(27)24(2)21(23)28)26(15-16-9-5-3-6-10-16)20(22-18)29-14-13-25-11-7-4-8-12-25/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3InChIKey
BDPSOPZZXIOVGF-UHFFFAOYSA-NSynonyms
843626-82-413DIMETHYL7BENZYL8(2PIPERIDYLETHYLTHIO)137TRIHYDROPURINE26DIONE
7benzyl13dimethyl8((2(piperidin1yl)ethyl)sulfanyl)37dihydro1Hpurine26dione
7BENZYL13DIMETHYL8((2(PIPERIDIN1YL)ETHYL)THIO)1HPURINE26(3H7H)DIONE
7BENZYL13DIMETHYL8(2PIPERIDIN1YLETHYLSULFANYL)PURINE26DIONE
843626824
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCN3CCCCC3)CC4=CC=CC=C4
InChI=1SC21H27N5O2Sc1231817(19(27)24(2)21(23)28)26(151695361016)20(2218)29141325117481225h356910H4781115H212H3
MFCD04015695
ZINC000002438581
ZINC2438581
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