Vitas-M small molecule compound

{5-bromo-2-ethoxy-4-[(Z)-{2-[(5-nitro-1-benzofuran-2-yl)carbonyl]hydrazinylidene}methyl]phenoxy}acetic acid

Catalog ID
STK199936
SMILES CCOc1cc(/C=N\NC(=O)c2cc3c(o2)ccc(c3)[N+](=O)[O-])c(cc1OCC(=O)O)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 C20H16BrN3O8 MW 506.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O8/c1-2-30-16-7-12(14(21)8-17(16)31-10-19(25)26)9-22-23-20(27)18-6-11-5-13(24(28)29)3-4-15(11)32-18/h3-9H,2,10H2,1H3,(H,23,27)(H,25,26)/b22-9-
InChIKey
BHWKSXRXIJCXEM-AFPJDJCSSA-N
Synonyms

(5BROMO2ETHOXY4((Z)(2((5NITRO1BENZOFURAN2YL)CARBONYL)HYDRAZINYLIDENE)METHYL)PHENOXY)ACETICACID
2(5BROMO2ETHOXY4((Z)((5NITRO1BENZOFURAN2CARBONYL)HYDRAZINYLIDENE)METHYL)PHENOXY)ACETICACID
CCOC1=C(C=C(C(=C1)C=NNC(=O)C2=CC3=C(O2)C=CC(=C3)(N+)(=O)(O))Br)OCC(=O)O
CCOc1cc(C=NNC(=O)c2cc3c(o2)ccc(c3)(N+)(=O)(O))c(cc1OCC(=O)O)Br
InChI=1SC20H16BrN3O8c123016712(14(21)817(16)311019(25)26)9222320(27)18611513(24(28)29)3415(11)3218h39H210H21H3(H2327)(H2526)b229
MFCD05041711
ZINC000030814051
ZINC9261958

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Available files

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