Vitas-M small molecule compound
8-(azepan-1-yl)-6-hydroxy-3-methyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-2H-purin-2-one
Catalog ID
STL051367
SMILES O=C(c1ccccc1)Cn1c(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 C20H23N5O3 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O3/c1-23-17-16(18(27)22-20(23)28)25(13-15(26)14-9-5-4-6-10-14)19(21-17)24-11-7-2-3-8-12-24/h4-6,9-10H,2-3,7-8,11-13H2,1H3,(H,22,27,28)InChIKey
XCOJCSGMDVRISY-UHFFFAOYSA-NSynonyms
714285-46-8714285468
8(AZEPAN1YL)3METHYL7(2OXO2PHENYLETHYL)1HPURINE26(3H7H)DIONE
8(AZEPAN1YL)3METHYL7PHENACYLPURINE26DIONE
8(azepan1yl)6hydroxy3methyl7(2oxo2phenylethyl)37dihydro2Hpurin2one
8AZEPAN1YL3METHYL7(2OXO2PHENYLETHYL)37DIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(=O)C4=CC=CC=C4
InChI=1SC20H23N5O3c1231716(18(27)2220(23)28)25(1315(26)1495461014)19(2117)241172381224h46910H23781113H21H3(H222728)
MFCD05726352
ZINC000000801707
ZINC00801707
ZINC801707
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