Vitas-M small molecule compound
2-[(5-bromo-2-ethoxy-4-{(E)-[2-(3-nitropyridin-2-yl)hydrazinylidene]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STK112596
SMILES CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(cc1OCc1ccccc1C#N)Br
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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 C22H18BrN5O4 MW 496.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN5O4/c1-2-31-20-10-17(13-26-27-22-19(28(29)30)8-5-9-25-22)18(23)11-21(20)32-14-16-7-4-3-6-15(16)12-24/h3-11,13H,2,14H2,1H3,(H,25,27)/b26-13+InChIKey
YCECPWOGRDKGRB-LGJNPRDNSA-NSynonyms
2((5bromo2ethoxy4((E)((3nitropyridin2yl)hydrazinylidene)methyl)phenoxy)methyl)benzonitrile
2((5BROMO2ETHOXY4((E)(2(3NITROPYRIDIN2YL)HYDRAZINYLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
CCOC1=C(C=C(C(=C1)C=NNC2=C(C=CC=N2)(N+)(=O)(O))Br)OCC3=CC=CC=C3C#N
CCOc1cc(C=NNc2ncccc2(N+)(=O)(O))c(cc1OCc1ccccc1C#N)Br
InChI=1SC22H18BrN5O4c1231201017(1326272219(28(29)30)8592522)18(23)1121(20)321416743615(16)1224h31113H214H21H3(H2527)b2613+
MFCD04127305
ZINC000012469622
ZINC96624552
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