Vitas-M small molecule compound

7-(2-chlorobenzyl)-6-hydroxy-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-3,7-dihydro-2H-purin-2-one

Catalog ID
STL149644
SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2c(n1Cc1ccccc1Cl)c(O)nc(=O)n2C

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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 C24H25ClN6O3 MW 480.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN6O3/c1-28-21-20(22(32)27-24(28)33)31(15-16-5-3-4-6-19(16)25)23(26-21)30-13-11-29(12-14-30)17-7-9-18(34-2)10-8-17/h3-10H,11-15H2,1-2H3,(H,27,32,33)
InChIKey
RFFPELUBAJJITL-UHFFFAOYSA-N
Synonyms
476481-81-9
476481819
7((2CHLOROPHENYL)METHYL)8(4(4METHOXYPHENYL)PIPERAZIN1YL)3METHYLPURINE26DIONE
7((2CHLOROPHENYL)METHYL)8(4(4METHOXYPHENYL)PIPERAZINYL)3METHYL137TRIHYDROPURINE26DIONE
7(2chlorobenzyl)6hydroxy8(4(4methoxyphenyl)piperazin1yl)3methyl37dihydro2Hpurin2one
7(2CHLOROBENZYL)8(4(4METHOXYPHENYL)PIPERAZIN1YL)3METHYL1HPURINE26(3H7H)DIONE
7(2CHLOROBENZYL)8(4(4METHOXYPHENYL)PIPERAZIN1YL)3METHYL37DIHYDRO1HPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5Cl
InChI=1SC24H25ClN6O3c1282120(22(32)2724(28)33)31(1516534619(16)25)23(2621)30131129(121430)177918(342)10817h310H1115H212H3(H273233)
MFCD03806222
ZINC000001306163
ZINC01306163
ZINC1306163

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.