Vitas-M small molecule compound
8-[(4-benzylpiperidin-1-yl)methyl]-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK596729
SMILES Fc1cccc(c1Cn1c(CN2CCC(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)Cl
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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 C27H29ClFN5O2 MW 510.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClFN5O2/c1-31-25-24(26(35)32(2)27(31)36)34(16-20-21(28)9-6-10-22(20)29)23(30-25)17-33-13-11-19(12-14-33)15-18-7-4-3-5-8-18/h3-10,19H,11-17H2,1-2H3InChIKey
NPSJUVSMDIVCFY-UHFFFAOYSA-NSynonyms
851938-52-87((6CHLORO2FLUOROPHENYL)METHYL)13DIMETHYL8((4BENZYLPIPERIDYL)METHYL)137TRIHYDROPURINE26DIONE
8((4BENZYLPIPERIDIN1YL)METHYL)7((2CHLORO6FLUOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8((4benzylpiperidin1yl)methyl)7(2chloro6fluorobenzyl)13dimethyl1Hpurine26(3H7H)dione
8((4benzylpiperidin1yl)methyl)7(2chloro6fluorobenzyl)13dimethyl37dihydro1Hpurine26dione
851938528
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)CC4=CC=CC=C4)CC5=C(C=CC=C5Cl)F
InChI=1SC27H29ClFN5O2c1312524(26(35)32(2)27(31)36)34(162021(28)961022(20)29)23(3025)1733131119(121433)15187435818h31019H1117H212H3
MFCD04466353
ZINC000009446448
ZINC9446448
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