Vitas-M small molecule compound
6-hydroxy-3-methyl-8-(piperidin-1-yl)-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-2H-purin-2-one
Catalog ID
STL051943
SMILES Oc1nc(=O)n(c2c1n(CCSc1ncccn1)c(n2)N1CCCCC1)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 C17H21N7O2S MW 387.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N7O2S/c1-22-13-12(14(25)21-17(22)26)24(10-11-27-15-18-6-5-7-19-15)16(20-13)23-8-3-2-4-9-23/h5-7H,2-4,8-11H2,1H3,(H,21,25,26)InChIKey
QJMQHJSKCVPTCK-UHFFFAOYSA-NSynonyms
685860-41-73METHYL8(PIPERIDIN1YL)7(2(PYRIMIDIN2YLTHIO)ETHYL)1HPURINE26(3H7H)DIONE
3METHYL8PIPERIDIN1YL7(2PYRIMIDIN2YLSULFANYLETHYL)PURINE26DIONE
3METHYL8PIPERIDYL7(2PYRIMIDIN2YLTHIOETHYL)137TRIHYDROPURINE26DIONE
685860417
6hydroxy3methyl8(piperidin1yl)7(2(pyrimidin2ylsulfanyl)ethyl)37dihydro2Hpurin2one
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCSC4=NC=CC=N4
InChI=1SC17H21N7O2Sc1221312(14(25)2117(22)26)24(10112715186571915)16(2013)238324923h57H24811H21H3(H212526)
MFCD05730762
ZINC000000812591
ZINC00812591
ZINC812591
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