Vitas-M small molecule compound

8-(azepan-1-yl)-7-(4-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK004856
SMILES Clc1ccc(cc1)Cn1c(nc2c1c(=O)n(C)c(=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 C20H24ClN5O2 MW 401.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24ClN5O2/c1-23-17-16(18(27)24(2)20(23)28)26(13-14-7-9-15(21)10-8-14)19(22-17)25-11-5-3-4-6-12-25/h7-10H,3-6,11-13H2,1-2H3
InChIKey
FNZLTTSGWZLCND-UHFFFAOYSA-N
Synonyms
326919-19-1
326919191
8(1AZEPANYL)7(4CHLOROBENZYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
8(AZEPAN1YL)7((4CHLOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8(AZEPAN1YL)7(4CHLOROBENZYL)13DIMETHYL1HPURINE26(3H7H)DIONE
8(AZEPAN1YL)7(4CHLOROBENZYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
8AZAPERHYDROEPINYL7((4CHLOROPHENYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
8AZEPAN1YL7(4CHLOROBENZYL)13DIMETHYL37DIHYDROPURINE26DIONE
Clc1ccc(cc1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCCC1
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC4=CC=C(C=C4)Cl
InChI=1SC20H24ClN5O2c1231716(18(27)24(2)20(23)28)26(13147915(21)10814)19(2217)251153461225h710H361113H212H3
MFCD01032102
STK004856
ZINC000000662945
ZINC00662945
ZINC662945

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.