Vitas-M small molecule compound
8-(azepan-1-yl)-6-hydroxy-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK582774
SMILES COc1ccc(cc1)CCn1c(nc2c1c(O)nc(=O)n2C)N1CCCCCC1
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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 C21H27N5O3 MW 397.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O3/c1-24-18-17(19(27)23-21(24)28)26(14-11-15-7-9-16(29-2)10-8-15)20(22-18)25-12-5-3-4-6-13-25/h7-10H,3-6,11-14H2,1-2H3,(H,23,27,28)InChIKey
BDZHNCWQTCKVAD-UHFFFAOYSA-NSynonyms
876891-15-58(azepan1yl)6hydroxy7(2(4methoxyphenyl)ethyl)3methyl37dihydro2Hpurin2one
8(AZEPAN1YL)7(2(4METHOXYPHENYL)ETHYL)3METHYLPURINE26DIONE
876891155
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCC4=CC=C(C=C4)OC
InChI=1SC21H27N5O3c1241817(19(27)2321(24)28)26(1411157916(292)10815)20(2218)251253461325h710H361114H212H3(H232728)
MFCD07210348
ZINC000004386275
ZINC04386275
ZINC4386275
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