Vitas-M small molecule compound

7-(4-chlorobenzyl)-1,3-dimethyl-8-[(4-methylbenzyl)amino]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK804465
SMILES Cc1ccc(cc1)CNc1nc2c(n1Cc1ccc(cc1)Cl)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 C22H22ClN5O2 MW 423.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O2/c1-14-4-6-15(7-5-14)12-24-21-25-19-18(20(29)27(3)22(30)26(19)2)28(21)13-16-8-10-17(23)11-9-16/h4-11H,12-13H2,1-3H3,(H,24,25)
InChIKey
BZKJBPGGCRZFPS-UHFFFAOYSA-N
Synonyms
354132-95-9
354132959
7((4CHLOROPHENYL)METHYL)13DIMETHYL8((4METHYLPHENYL)METHYLAMINO)PURINE26DIONE
7(4chlorobenzyl)13dimethyl8((4methylbenzyl)amino)1Hpurine26(3H7H)dione
7(4chlorobenzyl)13dimethyl8((4methylbenzyl)amino)37dihydro1Hpurine26dione
CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C
InChI=1SC22H22ClN5O2c1144615(7514)122421251918(20(29)27(3)22(30)26(19)2)28(21)131681017(23)11916h411H1213H213H3(H2425)
MFCD02183192
ZINC000000634942
ZINC00634942
ZINC634942

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Available files

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