Vitas-M small molecule compound
(8E)-7-(4-bromobenzyl)-8-[(2E)-(4-methoxybenzylidene)hydrazinylidene]-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Catalog ID
STL054028
SMILES COc1ccc(cc1)/C=N/N=c/1\[nH]c2c(n1Cc1ccc(cc1)Br)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 C22H21BrN6O3 MW 497.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN6O3/c1-27-19-18(20(30)28(2)22(27)31)29(13-15-4-8-16(23)9-5-15)21(25-19)26-24-12-14-6-10-17(32-3)11-7-14/h4-12H,13H2,1-3H3,(H,25,26)/b24-12+InChIKey
GBXNZMCAKSVZBL-WYMPLXKRSA-NSynonyms
714921-49-0(8E)7(4bromobenzyl)8((2E)(4methoxybenzylidene)hydrazinylidene)13dimethyl3789tetrahydro1Hpurine26dione
7((4BROMOPHENYL)METHYL)8((2E)2((4METHOXYPHENYL)METHYLIDENE)HYDRAZINYL)13DIMETHYLPURINE26DIONE
714921490
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)Br
COc1ccc(cc1)C=NN=c1(nH)c2c(n1Cc1ccc(cc1)Br)c(=O)n(c(=O)n2C)C
InChI=1SC22H21BrN6O3c1271918(20(30)28(2)22(27)31)29(13154816(23)9515)21(2519)2624121461017(323)11714h412H13H213H3(H2526)b2412+
MFCD05733262
ZINC000009471142
ZINC33331400
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