Vitas-M small molecule compound
8-(azepan-1-yl)-6-hydroxy-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-2H-purin-2-one
Catalog ID
STL042663
SMILES Oc1nc(=O)n(c2c1n(CCOc1ccccc1)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 C20H25N5O3 MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O3/c1-23-17-16(18(26)22-20(23)27)25(13-14-28-15-9-5-4-6-10-15)19(21-17)24-11-7-2-3-8-12-24/h4-6,9-10H,2-3,7-8,11-14H2,1H3,(H,22,26,27)InChIKey
ZIQGZKIBJUPBHB-UHFFFAOYSA-NSynonyms
105522-56-3105522563
1HPURINE26DIONE37DIHYDRO8(HEXAHYDRO1HAZEPIN1YL)3METHYL7(2PHENOXYETHYL)
1HPURINE26DIONE8(HEXAHYDRO1HAZEPIN1YL)37DIHYDRO3METHYL7(2PHENOXYETHYL)
7(2PHENOXYETHYL)8(HEXAHYDRO1HAZEPIN1YL)3METHYLXANTHINE
8(AZEPAN1YL)3METHYL7(2PHENOXYETHYL)1HPURINE26(3H7H)DIONE
8(AZEPAN1YL)3METHYL7(2PHENOXYETHYL)PURINE26DIONE
8(azepan1yl)6hydroxy3methyl7(2phenoxyethyl)37dihydro2Hpurin2one
8(HEXAHYDRO1HAZEPIN1YL)37DIHYDRO3METHYL7(2PHENOXYETHYL)1HPURINE26DIONE
8AZEPAN1YL3METHYL7(2PHENOXYETHYL)37DIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCOC4=CC=CC=C4
InChI=1SC20H25N5O3c1231716(18(26)2220(23)27)25(1314281595461015)19(2117)241172381224h46910H23781114H21H3(H222627)
MFCD05734952
ZINC000000801705
ZINC00801705
ZINC801705
Check stock
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Check stock on Vitas-MAvailable files
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