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

Catalog ID
STK558019
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CN(C)C)c2nonc2N)ccc1OC(=O)C

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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 C18H21N9O5 MW 443.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N9O5/c1-10(28)31-13-6-5-11(7-14(13)30-4)8-20-22-18(29)15-12(9-26(2)3)27(25-21-15)17-16(19)23-32-24-17/h5-8H,9H2,1-4H3,(H2,19,23)(H,22,29)/b20-8+
InChIKey
IZOCWYPSEJRWEJ-DNTJNYDQSA-N
Synonyms
578701-80-1
(4((E)((1(4amino125oxadiazol3yl)5((dimethylamino)methyl)triazole4carbonyl)hydrazinylidene)methyl)2methoxyphenyl)acetate
(4((E)((1(4AMINO125OXADIAZOL3YL)5(DIMETHYLAMINOMETHYL)TRIAZOLE4CARBONYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL)ACETATE
(E)4((2(1(4amino125oxadiazol3yl)5((dimethylamino)methyl)1H123triazole4carbonyl)hydrazono)methyl)2methoxyphenylacetate
4((E)(2((1(4amino125oxadiazol3yl)5((dimethylamino)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2methoxyphenylacetate
578701801
CC(=O)OC1=C(C=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C)OC
COc1cc(C=NNC(=O)c2nnn(c2CN(C)C)c2nonc2N)ccc1OC(=O)C
InChI=1SC18H21N9O5c110(28)31136511(714(13)304)8202218(29)1512(926(2)3)27(252115)1716(19)23322417h58H9H214H3(H21923)(H2229)b208+
MFCD03339415
ZINC000002387480
ZINC33364474

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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