Vitas-M small molecule compound
8-(azepan-1-yl)-7-benzyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK834093
SMILES O=c1[nH]c(=O)n(c2c1n(Cc1ccccc1)c(n2)N1CCCCCC1)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 C19H23N5O2 MW 353.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N5O2/c1-22-16-15(17(25)21-19(22)26)24(13-14-9-5-4-6-10-14)18(20-16)23-11-7-2-3-8-12-23/h4-6,9-10H,2-3,7-8,11-13H2,1H3,(H,21,25,26)InChIKey
AUFOQZRWLDFHRT-UHFFFAOYSA-NSynonyms
299419-32-2299419322
8(AZEPAN1YL)7BENZYL3METHYL1HPURINE26(3H7H)DIONE
8(azepan1yl)7benzyl3methyl37dihydro1Hpurine26dione
8(AZEPAN1YL)7BENZYL3METHYLPURINE26DIONE
8AZAPERHYDROEPINYL3METHYL7BENZYL137TRIHYDROPURINE26DIONE
8AZEPAN1YL7BENZYL3METHYL37DIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC4=CC=CC=C4
InChI=1SC19H23N5O2c1221615(17(25)2119(22)26)24(131495461014)18(2016)231172381223h46910H23781113H21H3(H212526)
MFCD00630764
O=c1(nH)c(=O)n(c2c1n(Cc1ccccc1)c(n2)N1CCCCCC1)C
ZINC000000627176
ZINC00627176
ZINC627176
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