Vitas-M small molecule compound

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

Catalog ID
STK697792
SMILES Brc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)Oc1ccc(cc1)c1ccccc1

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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 C26H21BrN4O3 MW 517.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrN4O3/c1-29-22-23(30(2)26(33)31(24(22)32)16-17-8-12-20(27)13-9-17)28-25(29)34-21-14-10-19(11-15-21)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3
InChIKey
FJRWSLDCBHZULK-UHFFFAOYSA-N
Synonyms
317842-96-9
1((4BROMOPHENYL)METHYL)37DIMETHYL8(4PHENYLPHENOXY)PURINE26DIONE
317842969
8((11biphenyl)4yloxy)1(4bromobenzyl)37dimethyl1Hpurine26(3H7H)dione
8(biphenyl4yloxy)1(4bromobenzyl)37dimethyl37dihydro1Hpurine26dione
CN1C2=C(N=C1OC3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)N(C2=O)CC5=CC=C(C=C5)Br)C
InChI=1SC26H21BrN4O3c1292223(30(2)26(33)31(24(22)32)161781220(27)13917)2825(29)3421141019(111521)186435718h315H16H212H3
MFCD01556394
ZINC000008934448
ZINC08934448
ZINC8934448

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Available files

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