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4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2-methoxyphenyl 2-methyl-3-nitrobenzoate

Catalog ID
STK546055
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2c2ccccc2)c2nonc2N)ccc1OC(=O)c1cccc(c1C)[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 C27H21N9O7 MW 583.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N9O7/c1-15-18(9-6-10-19(15)36(39)40)27(38)42-20-12-11-16(13-21(20)41-2)14-29-31-26(37)22-23(17-7-4-3-5-8-17)35(34-30-22)25-24(28)32-43-33-25/h3-14H,1-2H3,(H2,28,32)(H,31,37)/b29-14+
InChIKey
JNCXLYFVVRRVTM-IPPBACCNSA-N
Synonyms

(4((E)((1(4amino125oxadiazol3yl)5phenyltriazole4carbonyl)hydrazinylidene)methyl)2methoxyphenyl)2methyl3nitrobenzoate
(E)4((2(1(4amino125oxadiazol3yl)5phenyl1H123triazole4carbonyl)hydrazono)methyl)2methoxyphenyl2methyl3nitrobenzoate
4((E)(2((1(4amino125oxadiazol3yl)5phenyl1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2methoxyphenyl2methyl3nitrobenzoate
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)C5=CC=CC=C5)OC
COc1cc(C=NNC(=O)c2nnn(c2c2ccccc2)c2nonc2N)ccc1OC(=O)c1cccc(c1C)(N+)(=O)(O)
InChI=1SC27H21N9O7c11518(961019(15)36(39)40)27(38)4220121116(1321(20)412)14293126(37)2223(177435817)35(343022)2524(28)32433325h314H12H3(H22832)(H3137)b2914+
MFCD03293704
ZINC000102443453
ZINC102443449

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Available files

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