Vitas-M small molecule compound

7-(3-bromobenzyl)-8-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK527626
SMILES COc1ccc(cc1)/C(=N/Nc1nc2c(n1Cc1cccc(c1)Br)c(=O)[nH]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 C22H21BrN6O3 MW 497.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN6O3/c1-13(15-7-9-17(32-3)10-8-15)26-27-21-24-19-18(20(30)25-22(31)28(19)2)29(21)12-14-5-4-6-16(23)11-14/h4-11H,12H2,1-3H3,(H,24,27)(H,25,30,31)/b26-13+
InChIKey
KZYVAMUUWZBPNP-LGJNPRDNSA-N
Synonyms
327098-76-0
(E)7(3bromobenzyl)8(2(1(4methoxyphenyl)ethylidene)hydrazinyl)3methyl1Hpurine26(3H7H)dione
327098760
7((3bromophenyl)methyl)8((2E)2(1(4methoxyphenyl)ethylidene)hydrazinyl)3methylpurine26dione
7(3bromobenzyl)8((2E)2(1(4methoxyphenyl)ethylidene)hydrazinyl)3methyl37dihydro1Hpurine26dione
CC(=NNC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C)C4=CC=C(C=C4)OC
COc1ccc(cc1)C(=NNc1nc2c(n1Cc1cccc(c1)Br)c(=O)(nH)c(=O)n2C)C
InChI=1SC22H21BrN6O3c113(157917(323)10815)262721241918(20(30)2522(31)28(19)2)29(21)121454616(23)1114h411H12H213H3(H2427)(H253031)b2613+
MFCD01554643
ZINC000013512814
ZINC5295048

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Available files

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