Vitas-M small molecule compound
N'-[(E)-{2-bromo-5-ethoxy-4-[(3-nitrobenzyl)oxy]phenyl}methylidene]-4-cyano-2-fluorobenzohydrazide
Catalog ID
STK198114
SMILES CCOc1cc(/C=N/NC(=O)c2ccc(cc2F)C#N)c(cc1OCc1cccc(c1)[N+](=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 C24H18BrFN4O5 MW 541.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18BrFN4O5/c1-2-34-22-10-17(13-28-29-24(31)19-7-6-15(12-27)9-21(19)26)20(25)11-23(22)35-14-16-4-3-5-18(8-16)30(32)33/h3-11,13H,2,14H2,1H3,(H,29,31)/b28-13+InChIKey
NGJQKYRUIWDHAR-XODNFHPESA-NSynonyms
CCOC1=C(C=C(C(=C1)C=NNC(=O)C2=C(C=C(C=C2)C#N)F)Br)OCC3=CC(=CC=C3)(N+)(=O)(O)
CCOc1cc(C=NNC(=O)c2ccc(cc2F)C#N)c(cc1OCc1cccc(c1)(N+)(=O)(O))Br
InChI=1SC24H18BrFN4O5c1234221017(13282924(31)197615(1227)921(19)26)20(25)1123(22)35141643518(816)30(32)33h31113H214H21H3(H2931)b2813+
MFCD05800843
N((E)(2BROMO5ETHOXY4((3NITROBENZYL)OXY)PHENYL)METHYLIDENE)4CYANO2FLUOROBENZOHYDRAZIDE
N((E)(2bromo5ethoxy4((3nitrophenyl)methoxy)phenyl)methylideneamino)4cyano2fluorobenzamide
ZINC000100253781
ZINC101749088
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