Vitas-M small molecule compound
N'-[(E)-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}methylidene]-5-nitro-1-benzofuran-2-carbohydrazide
Catalog ID
STK199190
SMILES COc1cc(/C=N/NC(=O)c2oc3c(c2)cc(cc3)[N+](=O)[O-])cc(c1OCc1ccccc1F)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 C24H17BrFN3O6 MW 542.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17BrFN3O6/c1-33-21-9-14(8-18(25)23(21)34-13-15-4-2-3-5-19(15)26)12-27-28-24(30)22-11-16-10-17(29(31)32)6-7-20(16)35-22/h2-12H,13H2,1H3,(H,28,30)/b27-12+InChIKey
LOUIYHDWHKLJKA-KKMKTNMSSA-NSynonyms
COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC3=C(O2)C=CC(=C3)(N+)(=O)(O))Br)OCC4=CC=CC=C4F
COc1cc(C=NNC(=O)c2oc3c(c2)cc(cc3)(N+)(=O)(O))cc(c1OCc1ccccc1F)Br
InChI=1SC24H17BrFN3O6c13321914(818(25)23(21)341315423519(15)26)12272824(30)2211161017(29(31)32)6720(16)3522h212H13H21H3(H2830)b2712+
MFCD06150688
N((E)(3BROMO4((2FLUOROBENZYL)OXY)5METHOXYPHENYL)METHYLIDENE)5NITRO1BENZOFURAN2CARBOHYDRAZIDE
N((E)(3bromo4((2fluorophenyl)methoxy)5methoxyphenyl)methylideneamino)5nitro1benzofuran2carboxamide
ZINC000100253217
ZINC101751602
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