Vitas-M small molecule compound

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

Catalog ID
STK596442
SMILES CC(CCn1c(CN2CCN(CC2)c2cccc(c2)Cl)nc2c1c(=O)n(c(=O)n2C)C)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 C23H31ClN6O2 MW 458.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31ClN6O2/c1-16(2)8-9-30-19(25-21-20(30)22(31)27(4)23(32)26(21)3)15-28-10-12-29(13-11-28)18-7-5-6-17(24)14-18/h5-7,14,16H,8-13,15H2,1-4H3
InChIKey
WVQUKZBKKIFQEV-UHFFFAOYSA-N
Synonyms
851941-89-4
8((4(3CHLOROPHENYL)1PIPERAZINYL)METHYL)13DIMETHYL7(3METHYLBUTYL)PURINE26DIONE
8((4(3chlorophenyl)piperazin1yl)methyl)13dimethyl7(3methylbutyl)37dihydro1Hpurine26dione
8((4(3CHLOROPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYL7(3METHYLBUTYL)PURINE26DIONE
8((4(3CHLOROPHENYL)PIPERAZIN1YL)METHYL)7ISOPENTYL13DIMETHYL1HPURINE26(3H7H)DIONE
8((4(3CHLOROPHENYL)PIPERAZINO)METHYL)7ISOAMYL13DIMETHYLXANTHINE
8((4(3CHLOROPHENYL)PIPERAZINYL)METHYL)13DIMETHYL7(3METHYLBUTYL)137TRIHYDROPURINE26DIONE
851941894
CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC(=CC=C4)Cl
InChI=1SC23H31ClN6O2c116(2)893019(252120(30)22(31)27(4)23(32)26(21)3)1528101229(131128)1875617(24)1418h571416H81315H214H3
MFCD04466678
ZINC000057010954
ZINC57010954

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Available files

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