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Vitas-M small molecule compound

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

Catalog ID
STK087103
SMILES Cn1c2nc([nH]c2c(=O)n(c1=O)C)N1CCN(CC1)Cc1ccccc1

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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 C18H22N6O2 MW 354.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N6O2/c1-21-15-14(16(25)22(2)18(21)26)19-17(20-15)24-10-8-23(9-11-24)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,19,20)
InChIKey
MNSJEWPYCPUTHM-UHFFFAOYSA-N
Synonyms
54119-58-3
13DIMETHYL8(4BENZYLPIPERAZINYL)137TRIHYDROPURINE26DIONE
54119583
8(4BENZYLPIPERAZIN1YL)13DIMETHYL1HPURINE26(3H7H)DIONE
8(4BENZYLPIPERAZIN1YL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
8(4BENZYLPIPERAZIN1YL)13DIMETHYL37DIHYDROPURINE26DIONE
8(4BENZYLPIPERAZIN1YL)13DIMETHYL7HPURINE26DIONE
8(4BENZYLPIPERAZINO)13DIMETHYL39DIHYDRO1HPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)CC4=CC=CC=C4
Cn1c2nc((nH)c2c(=O)n(c1=O)C)N1CCN(CC1)Cc1ccccc1
InChI=1SC18H22N6O2c1211514(16(25)22(2)18(21)26)1917(2015)2410823(91124)12136435713h37H812H212H3(H1920)
MFCD01090127
STK087103
ZINC000054263438
ZINC54263438

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Available files

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

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