Vitas-M small molecule compound

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

Catalog ID
STK261902
SMILES Clc1ccc(cc1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCNCC1

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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 C19H23ClN6O2 MW 402.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23ClN6O2/c1-23-16-15(17(27)24(2)19(23)28)26(12-13-4-6-14(20)7-5-13)18(22-16)25-10-3-8-21-9-11-25/h4-7,21H,3,8-12H2,1-2H3
InChIKey
DYGQLYLDEVFDDI-UHFFFAOYSA-N
Synonyms

7((4CHLOROPHENYL)METHYL)8(14DIAZEPAN1YL)13DIMETHYLPURINE26DIONE
7(4chlorobenzyl)8(14diazepan1yl)13dimethyl37dihydro1Hpurine26dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCNCC3)CC4=CC=C(C=C4)Cl
InChI=1SC19H23ClN6O2c1231615(17(27)24(2)19(23)28)26(12134614(20)7513)18(2216)2510382191125h4721H3812H212H3
MFCD07184029
ZINC000006668050
ZINC6668050

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Available files

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