Vitas-M small molecule compound

8-[(4-benzylpiperidin-1-yl)methyl]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK576705
SMILES Clc1ccccc1Cn1c(CN2CCC(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

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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 C27H30ClN5O2 MW 492.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30ClN5O2/c1-30-25-24(26(34)31(2)27(30)35)33(17-21-10-6-7-11-22(21)28)23(29-25)18-32-14-12-20(13-15-32)16-19-8-4-3-5-9-19/h3-11,20H,12-18H2,1-2H3
InChIKey
KTGBTEYGNLUUHM-UHFFFAOYSA-N
Synonyms
851938-88-0
7((2CHLOROPHENYL)METHYL)13DIMETHYL8((4BENZYLPIPERIDYL)METHYL)137TRIHYDROPURINE26DIONE
8((4BENZYLPIPERIDIN1YL)METHYL)7((2CHLOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8((4benzylpiperidin1yl)methyl)7(2chlorobenzyl)13dimethyl1Hpurine26(3H7H)dione
8((4benzylpiperidin1yl)methyl)7(2chlorobenzyl)13dimethyl37dihydro1Hpurine26dione
851938880
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)CC4=CC=CC=C4)CC5=CC=CC=C5Cl
InChI=1SC27H30ClN5O2c1302524(26(34)31(2)27(30)35)33(172110671122(21)28)23(2925)1832141220(131532)16198435919h31120H1218H212H3
MFCD04466389
ZINC000009242742
ZINC9242742

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Available files

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