Vitas-M small molecule compound

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

Catalog ID
STK586494
SMILES Cc1cccc(c1)Cn1c(CN2CCN(CC2)c2cccc(c2)Cl)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 C26H29ClN6O2 MW 493.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN6O2/c1-18-6-4-7-19(14-18)16-33-22(28-24-23(33)25(34)30(3)26(35)29(24)2)17-31-10-12-32(13-11-31)21-9-5-8-20(27)15-21/h4-9,14-15H,10-13,16-17H2,1-3H3
InChIKey
ISOOPSRPIZQKJS-UHFFFAOYSA-N
Synonyms
851938-81-3
8((4(3CHLOROPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYL7((3METHYLPHENYL)METHYL)PURINE26DIONE
8((4(3chlorophenyl)piperazin1yl)methyl)13dimethyl7(3methylbenzyl)1Hpurine26(3H7H)dione
8((4(3chlorophenyl)piperazin1yl)methyl)13dimethyl7(3methylbenzyl)37dihydro1Hpurine26dione
8((4(3CHLOROPHENYL)PIPERAZINYL)METHYL)13DIMETHYL7((3METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
851938813
CC1=CC(=CC=C1)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCN(CC4)C5=CC(=CC=C5)Cl
InChI=1SC26H29ClN6O2c11864719(1418)163322(282423(33)25(34)30(3)26(35)29(24)2)1731101232(131131)2195820(27)1521h491415H10131617H213H3
MFCD04466380
ZINC000057111323
ZINC57111323

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Available files

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