Vitas-M small molecule compound
ethyl {2-bromo-6-ethoxy-4-[(E)-{2-[(5-nitro-1-benzofuran-2-yl)carbonyl]hydrazinylidene}methyl]phenoxy}acetate
Catalog ID
STK161356
SMILES CCOC(=O)COc1c(Br)cc(cc1OCC)/C=N/NC(=O)c1oc2c(c1)cc(cc2)[N+](=O)[O-]
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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 C22H20BrN3O8 MW 534.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O8/c1-3-31-18-8-13(7-16(23)21(18)33-12-20(27)32-4-2)11-24-25-22(28)19-10-14-9-15(26(29)30)5-6-17(14)34-19/h5-11H,3-4,12H2,1-2H3,(H,25,28)/b24-11+InChIKey
YEYBQCRKBGCVCS-BHGWPJFGSA-NSynonyms
CCOC(=O)COc1c(Br)cc(cc1OCC)C=NNC(=O)c1oc2c(c1)cc(cc2)(N+)(=O)(O)
CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=CC3=C(O2)C=CC(=C3)(N+)(=O)(O))Br)OCC(=O)OCC
ETHYL(2BROMO6ETHOXY4((E)(2((5NITRO1BENZOFURAN2YL)CARBONYL)HYDRAZINYLIDENE)METHYL)PHENOXY)ACETATE
ethyl2(2bromo6ethoxy4((E)((5nitro1benzofuran2carbonyl)hydrazinylidene)methyl)phenoxy)acetate
InChI=1SC22H20BrN3O8c133118813(716(23)21(18)331220(27)3242)11242522(28)191014915(26(29)30)5617(14)3419h511H3412H212H3(H2528)b2411+
MFCD03241321
ZINC000101655235
ZINC101655233
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