Vitas-M small molecule compound
8-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-3-methyl-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK539888
SMILES CN(c1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)[N+](=O)[O-])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 C22H22N8O4 MW 462.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N8O4/c1-27(2)16-8-4-14(5-9-16)12-23-26-21-24-19-18(20(31)25-22(32)28(19)3)29(21)13-15-6-10-17(11-7-15)30(33)34/h4-12H,13H2,1-3H3,(H,24,26)(H,25,31,32)/b23-12+InChIKey
HVENDNPZOUKWAC-FSJBWODESA-NSynonyms
(E)8(2(4(dimethylamino)benzylidene)hydrazinyl)3methyl7(4nitrobenzyl)1Hpurine26(3H7H)dione
8((2E)2((4(dimethylamino)phenyl)methylidene)hydrazinyl)3methyl7((4nitrophenyl)methyl)purine26dione
8((2E)2(4(dimethylamino)benzylidene)hydrazinyl)3methyl7(4nitrobenzyl)37dihydro1Hpurine26dione
CN(c1ccc(cc1)C=NNc1nc2c(n1Cc1ccc(cc1)(N+)(=O)(O))c(=O)(nH)c(=O)n2C)C
CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)N(C)C)CC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H22N8O4c127(2)168414(5916)12232621241918(20(31)2522(32)28(19)3)29(21)131561017(11715)30(33)34h412H13H213H3(H2426)(H253132)b2312+
MFCD02233929
ZINC000005360481
ZINC33335092
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