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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}methylidene]-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK551448
SMILES CCOc1cc(/C=N/NC(=O)c2nnn(c2c2cccc(c2)[N+](=O)[O-])c2nonc2N)cc(c1OCc1ccc(cc1)F)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 C27H21BrFN9O6 MW 666.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrFN9O6/c1-2-42-21-11-16(10-20(28)24(21)43-14-15-6-8-18(29)9-7-15)13-31-33-27(39)22-23(17-4-3-5-19(12-17)38(40)41)37(36-32-22)26-25(30)34-44-35-26/h3-13H,2,14H2,1H3,(H2,30,34)(H,33,39)/b31-13+
InChIKey
AUABTJWGSMWKOO-IURWMYGYSA-N
Synonyms

(E)1(4amino125oxadiazol3yl)N(3bromo5ethoxy4((4fluorobenzyl)oxy)benzylidene)5(3nitrophenyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo5ethoxy4((4fluorobenzyl)oxy)phenyl)methylidene)5(3nitrophenyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo5ethoxy4((4fluorophenyl)methoxy)phenyl)methylideneamino)5(3nitrophenyl)triazole4carboxamide
CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC(=CC=C4)(N+)(=O)(O))Br)OCC5=CC=C(C=C5)F
CCOc1cc(C=NNC(=O)c2nnn(c2c2cccc(c2)(N+)(=O)(O))c2nonc2N)cc(c1OCc1ccc(cc1)F)Br
InChI=1SC27H21BrFN9O6c1242211116(1020(28)24(21)4314156818(29)9715)13313327(39)2223(1743519(1217)38(40)41)37(363222)2625(30)34443526h313H214H21H3(H23034)(H3339)b3113+
MFCD03339043
ZINC000150396442
ZINC150558162

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Available files

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