Vitas-M small molecule compound

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

Catalog ID
STK837817
SMILES Cc1cccc(c1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1

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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 C20H25N5O2 MW 367.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O2/c1-14-8-7-9-15(12-14)13-25-16-17(22(2)20(27)23(3)18(16)26)21-19(25)24-10-5-4-6-11-24/h7-9,12H,4-6,10-11,13H2,1-3H3
InChIKey
BRRZFZPLUMWRSH-UHFFFAOYSA-N
Synonyms
359901-55-6
13DIMETHYL7((3METHYLPHENYL)METHYL)8PIPERIDIN1YLPURINE26DIONE
13DIMETHYL7((3METHYLPHENYL)METHYL)8PIPERIDYL137TRIHYDROPURINE26DIONE
13DIMETHYL7(3METHYLBENZYL)8(PIPERIDIN1YL)1HPURINE26(3H7H)DIONE
13dimethyl7(3methylbenzyl)8(piperidin1yl)37dihydro1Hpurine26dione
13DIMETHYL7(3METHYLBENZYL)8PIPERIDIN1YL37DIHYDROPURINE26DIONE
359901556
CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C
InChI=1SC20H25N5O2c11487915(1214)13251617(22(2)20(27)23(3)18(16)26)2119(25)24105461124h7912H46101113H213H3
MFCD02735448
ZINC000000629040
ZINC00629040
ZINC629040

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Available files

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