Vitas-M small molecule compound

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

Catalog ID
STK573900
SMILES Clc1cccc(c1)Cn1c(CN2CCN(CC2)c2ccccc2F)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 C25H26ClFN6O2 MW 496.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClFN6O2/c1-29-23-22(24(34)30(2)25(29)35)33(15-17-6-5-7-18(26)14-17)21(28-23)16-31-10-12-32(13-11-31)20-9-4-3-8-19(20)27/h3-9,14H,10-13,15-16H2,1-2H3
InChIKey
KISWYLVWSGTMJX-UHFFFAOYSA-N
Synonyms
851940-10-8
7((3CHLOROPHENYL)METHYL)8((4(2FLUOROPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYLPURINE26DIONE
7((3CHLOROPHENYL)METHYL)8((4(2FLUOROPHENYL)PIPERAZINYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
7(3chlorobenzyl)8((4(2fluorophenyl)piperazin1yl)methyl)13dimethyl1Hpurine26(3H7H)dione
7(3chlorobenzyl)8((4(2fluorophenyl)piperazin1yl)methyl)13dimethyl37dihydro1Hpurine26dione
851940108
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4F)CC5=CC(=CC=C5)Cl
InChI=1SC25H26ClFN6O2c1292322(24(34)30(2)25(29)35)33(151765718(26)1417)21(2823)1631101232(131131)20943819(20)27h3914H10131516H212H3
MFCD04466484
ZINC000057099742
ZINC57099742

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Available files

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