Vitas-M small molecule compound
7-benzyl-6-hydroxy-3-methyl-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-3,7-dihydro-2H-purin-2-one
Catalog ID
STL047849
SMILES Oc1nc(=O)n(c2c1n(Cc1ccccc1)c(n2)SCCN1CCCCC1)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 C20H25N5O2S MW 399.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O2S/c1-23-17-16(18(26)22-19(23)27)25(14-15-8-4-2-5-9-15)20(21-17)28-13-12-24-10-6-3-7-11-24/h2,4-5,8-9H,3,6-7,10-14H2,1H3,(H,22,26,27)InChIKey
ICOKNLSKOXBDGH-UHFFFAOYSA-NSynonyms
442865-18-13METHYL7BENZYL8(2PIPERIDYLETHYLTHIO)137TRIHYDROPURINE26DIONE
442865181
7BENZYL3METHYL8((2(PIPERIDIN1YL)ETHYL)THIO)1HPURINE26(3H7H)DIONE
7BENZYL3METHYL8(2PIPERIDIN1YLETHYLSULFANYL)37DIHYDROPURINE26DIONE
7BENZYL3METHYL8(2PIPERIDIN1YLETHYLSULFANYL)PURINE26DIONE
7benzyl6hydroxy3methyl8((2(piperidin1yl)ethyl)sulfanyl)37dihydro2Hpurin2one
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCN3CCCCC3)CC4=CC=CC=C4
InChI=1SC20H25N5O2Sc1231716(18(26)2219(23)27)25(14158425915)20(2117)28131224106371124h24589H3671014H21H3(H222627)
MFCD03799680
ZINC000004102974
ZINC4102974
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