Vitas-M small molecule compound
8-(4-benzylpiperidin-1-yl)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK262593
SMILES Cc1ccc(cc1)Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCC(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 C27H31N5O2 MW 457.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O2/c1-19-9-11-22(12-10-19)18-32-23-24(29(2)27(34)30(3)25(23)33)28-26(32)31-15-13-21(14-16-31)17-20-7-5-4-6-8-20/h4-12,21H,13-18H2,1-3H3InChIKey
AROOKPFUZMDCCL-UHFFFAOYSA-NSynonyms
13DIMETHYL7((4METHYLPHENYL)METHYL)8(4BENZYLPIPERIDYL)137TRIHYDROPURINE26DIONE
8(4benzylpiperidin1yl)13dimethyl7((4methylphenyl)methyl)purine26dione
8(4BENZYLPIPERIDIN1YL)13DIMETHYL7(4METHYLBENZYL)1HPURINE26(3H7H)DIONE
8(4benzylpiperidin1yl)13dimethyl7(4methylbenzyl)37dihydro1Hpurine26dione
CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCC(CC4)CC5=CC=CC=C5)N(C(=O)N(C3=O)C)C
InChI=1SC27H31N5O2c11991122(121019)18322324(29(2)27(34)30(3)25(23)33)2826(32)31151321(141631)17207546820h41221H1318H213H3
MFCD07626818
ZINC000008775056
ZINC08775056
ZINC8775056
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