Vitas-M small molecule compound
7-(2-chloro-6-fluorobenzyl)-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK586535
SMILES OCCN1CCN(CC1)Cc1nc2c(n1Cc1c(F)cccc1Cl)c(=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 C21H26ClFN6O3 MW 464.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClFN6O3/c1-25-19-18(20(31)26(2)21(25)32)29(12-14-15(22)4-3-5-16(14)23)17(24-19)13-28-8-6-27(7-9-28)10-11-30/h3-5,30H,6-13H2,1-2H3InChIKey
BHQXUYZCHYVPKG-UHFFFAOYSA-NSynonyms
851938-55-17((2CHLORO6FLUOROPHENYL)METHYL)8((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)13DIMETHYLPURINE26DIONE
7(2chloro6fluorobenzyl)8((4(2hydroxyethyl)piperazin1yl)methyl)13dimethyl1Hpurine26(3H7H)dione
7(2chloro6fluorobenzyl)8((4(2hydroxyethyl)piperazin1yl)methyl)13dimethyl37dihydro1Hpurine26dione
851938551
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CCO)CC4=C(C=CC=C4Cl)F
InChI=1SC21H26ClFN6O3c1251918(20(31)26(2)21(25)32)29(121415(22)43516(14)23)17(2419)13288627(7928)101130h3530H613H212H3
MFCD04466359
ZINC000020519149
ZINC20519149
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