Vitas-M small molecule compound

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

Catalog ID
STK552617
SMILES O=C(c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N)N/N=C/c1cccc(c1)OCc1ccccc1

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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 C25H19N9O5 MW 525.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N9O5/c26-23-24(31-39-30-23)33-22(18-9-5-10-19(13-18)34(36)37)21(28-32-33)25(35)29-27-14-17-8-4-11-20(12-17)38-15-16-6-2-1-3-7-16/h1-14H,15H2,(H2,26,30)(H,29,35)/b27-14+
InChIKey
YMJOEJWSAHXJOT-MZJWZYIUSA-N
Synonyms
799839-42-2
(E)1(4amino125oxadiazol3yl)N(3(benzyloxy)benzylidene)5(3nitrophenyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5(3NITROPHENYL)N((E)(3PHENYLMETHOXYPHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
1(4amino125oxadiazol3yl)N((E)(3(benzyloxy)phenyl)methylidene)5(3nitrophenyl)1H123triazole4carbohydrazide
799839422
C1=CC=C(C=C1)COC2=CC=CC(=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC25H19N9O5c262324(31393023)3322(18951019(1318)34(36)37)21(283233)25(35)29271417841120(1217)3815166213716h114H15H2(H22630)(H2935)b2714+
MFCD03686016
O=C(c1nnn(c1c1cccc(c1)(N+)(=O)(O))c1nonc1N)NN=Cc1cccc(c1)OCc1ccccc1
ZINC000002247568
ZINC102462623

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Available files

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