Vitas-M small molecule compound

7-benzyl-3-methyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK528133
SMILES CN1CCN(CC1)c1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C

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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/c1-21-8-10-23(11-9-21)17-19-15-14(16(25)20-18(26)22(15)2)24(17)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,20,25,26)
InChIKey
XIXVUMAIDBXMQG-UHFFFAOYSA-N
Synonyms
332103-57-8
332103578
3METHYL8(4METHYLPIPERAZINYL)7BENZYL137TRIHYDROPURINE26DIONE
7BENZYL3METHYL8(4METHYLPIPERAZIN1YL)1HPURINE26(3H7H)DIONE
7benzyl3methyl8(4methylpiperazin1yl)37dihydro1Hpurine26dione
7BENZYL3METHYL8(4METHYLPIPERAZIN1YL)37DIHYDROPURINE26DIONE
7BENZYL3METHYL8(4METHYLPIPERAZIN1YL)PURINE26DIONE
CN1CCN(CC1)c1nc2c(n1Cc1ccccc1)c(=O)(nH)c(=O)n2C
CN1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C
InChI=1SC18H22N6O2c12181023(11921)17191514(16(25)2018(26)22(15)2)24(17)12136435713h37H812H212H3(H202526)
MFCD01880456
ZINC000000633258
ZINC633258

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Available files

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