Vitas-M small molecule compound

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

Catalog ID
STK573690
SMILES O=C(c1nnn(c1CN(c1ccccc1)C)c1nonc1N)N/N=C/c1ccc(cc1)[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 C20H18N10O4 MW 462.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N10O4/c1-28(14-5-3-2-4-6-14)12-16-17(23-27-29(16)19-18(21)25-34-26-19)20(31)24-22-11-13-7-9-15(10-8-13)30(32)33/h2-11H,12H2,1H3,(H2,21,25)(H,24,31)/b22-11+
InChIKey
YOEGFJQINVVAET-SSDVNMTOSA-N
Synonyms
877800-92-5
(E)1(4amino125oxadiazol3yl)5((methyl(phenyl)amino)methyl)N(4nitrobenzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5((methyl(phenyl)amino)methyl)N((E)(4nitrophenyl)methylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5((Nmethylanilino)methyl)N((E)(4nitrophenyl)methylideneamino)triazole4carboxamide
877800925
CN(CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4
InChI=1SC20H18N10O4c128(145324614)121617(232729(16)1918(21)25342619)20(31)242211137915(10813)30(32)33h211H12H21H3(H22125)(H2431)b2211+
MFCD05704032
O=C(c1nnn(c1CN(c1ccccc1)C)c1nonc1N)NN=Cc1ccc(cc1)(N+)(=O)(O)
ZINC000009111194
ZINC102572849

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Available files

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