Vitas-M small molecule compound

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

Catalog ID
STK582050
SMILES CCN1CCN(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 C21H26ClFN6O2 MW 448.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClFN6O2/c1-4-27-8-10-28(11-9-27)13-17-24-19-18(20(30)26(3)21(31)25(19)2)29(17)12-14-15(22)6-5-7-16(14)23/h5-7H,4,8-13H2,1-3H3
InChIKey
FXBUZNPVUFNIJU-UHFFFAOYSA-N
Synonyms
838874-06-9
7((2CHLORO6FLUOROPHENYL)METHYL)8((4ETHYLPIPERAZIN1YL)METHYL)13DIMETHYLPURINE26DIONE
7((2CHLORO6FLUOROPHENYL)METHYL)8((4ETHYLPIPERAZINYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
7(2chloro6fluorobenzyl)8((4ethylpiperazin1yl)methyl)13dimethyl1Hpurine26(3H7H)dione
7(2chloro6fluorobenzyl)8((4ethylpiperazin1yl)methyl)13dimethyl37dihydro1Hpurine26dione
838874069
CCN1CCN(CC1)CC2=NC3=C(N2CC4=C(C=CC=C4Cl)F)C(=O)N(C(=O)N3C)C
InChI=1SC21H26ClFN6O2c142781028(11927)1317241918(20(30)26(3)21(31)25(19)2)29(17)121415(22)65716(14)23h57H4813H213H3
MFCD04466357
ZINC000020512884
ZINC20512884

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Available files

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