Vitas-M small molecule compound
N'-[(E)-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-2-chloro-4-nitrobenzohydrazide
Catalog ID
STK957584
SMILES COc1ccc(cc1Cn1nc(c(c1C)Br)C)/C=N/NC(=O)c1ccc(cc1Cl)[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 C21H19BrClN5O4 MW 520.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrClN5O4/c1-12-20(22)13(2)27(26-12)11-15-8-14(4-7-19(15)32-3)10-24-25-21(29)17-6-5-16(28(30)31)9-18(17)23/h4-10H,11H2,1-3H3,(H,25,29)/b24-10+InChIKey
WXNINDUKXFWTDR-YSURURNPSA-NSynonyms
351332-81-5351332815
CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))Cl)OC)C)Br
COc1ccc(cc1Cn1nc(c(c1C)Br)C)C=NNC(=O)c1ccc(cc1Cl)(N+)(=O)(O)
InChI=1SC21H19BrClN5O4c11220(22)13(2)27(2612)1115814(4719(15)323)10242521(29)176516(28(30)31)918(17)23h410H11H213H3(H2529)b2410+
MFCD01889283
N((E)(3((4bromo35dimethyl1Hpyrazol1yl)methyl)4methoxyphenyl)methylidene)2chloro4nitrobenzohydrazide
N((E)(3((4bromo35dimethylpyrazol1yl)methyl)4methoxyphenyl)methylideneamino)2chloro4nitrobenzamide
ZINC000002741948
ZINC100292207
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