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

Catalog ID
STK548593
SMILES O=C(c1nnn(c1CN1CCc2c1cccc2)c1nonc1N)N/N=C/c1cccc(c1)OC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl

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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 C28H21ClN10O6 MW 628.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN10O6/c29-20-9-8-18(13-22(20)39(42)43)28(41)44-19-6-3-4-16(12-19)14-31-33-27(40)24-23(38(36-32-24)26-25(30)34-45-35-26)15-37-11-10-17-5-1-2-7-21(17)37/h1-9,12-14H,10-11,15H2,(H2,30,34)(H,33,40)/b31-14+
InChIKey
FFULNLRESAJXAM-XAZZYMPDSA-N
Synonyms

(3((E)((1(4amino125oxadiazol3yl)5(23dihydroindol1ylmethyl)triazole4carbonyl)hydrazinylidene)methyl)phenyl)4chloro3nitrobenzoate
(E)3((2(1(4amino125oxadiazol3yl)5(indolin1ylmethyl)1H123triazole4carbonyl)hydrazono)methyl)phenyl4chloro3nitrobenzoate
3((E)(2((1(4amino125oxadiazol3yl)5(23dihydro1Hindol1ylmethyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)phenyl4chloro3nitrobenzoate
C1CN(C2=CC=CC=C21)CC3=C(N=NN3C4=NON=C4N)C(=O)NN=CC5=CC(=CC=C5)OC(=O)C6=CC(=C(C=C6)Cl)(N+)(=O)(O)
InChI=1SC28H21ClN10O6c29209818(1322(20)39(42)43)28(41)441963416(1219)14313327(40)2423(38(363224)2625(30)34453526)1537111017512721(17)37h191214H101115H2(H23034)(H3340)b3114+
MFCD03297834
O=C(c1nnn(c1CN1CCc2c1cccc2)c1nonc1N)NN=Cc1cccc(c1)OC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000150397402
ZINC150558136

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Available files

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