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

Catalog ID
STK547035
SMILES CCN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1)OC(=O)c1ccc(c(c1)C)[N+](=O)[O-])CC

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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 C25H26N10O6 MW 562.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N10O6/c1-4-33(5-2)14-20-21(28-32-34(20)23-22(26)30-41-31-23)24(36)29-27-13-16-7-6-8-18(12-16)40-25(37)17-9-10-19(35(38)39)15(3)11-17/h6-13H,4-5,14H2,1-3H3,(H2,26,30)(H,29,36)/b27-13+
InChIKey
XPLGFXRRDGKKKT-UVHMKAGCSA-N
Synonyms

(3((E)((1(4amino125oxadiazol3yl)5(diethylaminomethyl)triazole4carbonyl)hydrazinylidene)methyl)phenyl)3methyl4nitrobenzoate
(E)3((2(1(4amino125oxadiazol3yl)5((diethylamino)methyl)1H123triazole4carbonyl)hydrazono)methyl)phenyl3methyl4nitrobenzoate
3((E)(2((1(4amino125oxadiazol3yl)5((diethylamino)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)phenyl3methyl4nitrobenzoate
CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC=C3)OC(=O)C4=CC(=C(C=C4)(N+)(=O)(O))C
CCN(Cc1c(nnn1c1nonc1N)C(=O)NN=Cc1cccc(c1)OC(=O)c1ccc(c(c1)C)(N+)(=O)(O))CC
InChI=1SC25H26N10O6c1433(52)142021(283234(20)2322(26)30413123)24(36)2927131676818(1216)4025(37)1791019(35(38)39)15(3)1117h613H4514H213H3(H22630)(H2936)b2713+
MFCD03293971
ZINC000102446791
ZINC102446787

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Available files

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