Vitas-M small molecule compound

1-(4-bromobenzyl)-8-(3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK804389
SMILES Brc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)Oc1cc(C)cc(c1)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 C22H21BrN4O3 MW 469.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN4O3/c1-13-9-14(2)11-17(10-13)30-21-24-19-18(25(21)3)20(28)27(22(29)26(19)4)12-15-5-7-16(23)8-6-15/h5-11H,12H2,1-4H3
InChIKey
ULIMTOCTLSEBDA-UHFFFAOYSA-N
Synonyms
304879-05-8
1((4BROMOPHENYL)METHYL)8(35DIMETHYLPHENOXY)37DIMETHYLPURINE26DIONE
1(4bromobenzyl)8(35dimethylphenoxy)37dimethyl1Hpurine26(3H7H)dione
1(4bromobenzyl)8(35dimethylphenoxy)37dimethyl37dihydro1Hpurine26dione
304879058
CC1=CC(=CC(=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Br)C
InChI=1SC22H21BrN4O3c113914(2)1117(1013)3021241918(25(21)3)20(28)27(22(29)26(19)4)12155716(23)8615h511H12H214H3
MFCD01553480
ZINC000001127323
ZINC01127323
ZINC1127323

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Available files

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