Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N'-[(E)-(2,4,6-trimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL057667
SMILES COc1cc(OC)cc(c1/C=N/NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)OC

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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 C21H19N9O7 MW 509.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N9O7/c1-34-13-8-15(35-2)14(16(9-13)36-3)10-23-25-21(31)17-18(11-4-6-12(7-5-11)30(32)33)29(28-24-17)20-19(22)26-37-27-20/h4-10H,1-3H3,(H2,22,26)(H,25,31)/b23-10+
InChIKey
XIQWKWYXVGWTMS-AUEPDCJTSA-N
Synonyms
714919-02-5
(E)1(4amino125oxadiazol3yl)5(4nitrophenyl)N(246trimethoxybenzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(4nitrophenyl)N((E)(246trimethoxyphenyl)methylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(4nitrophenyl)N((E)(246trimethoxyphenyl)methylideneamino)triazole4carboxamide
714919025
COC1=CC(=C(C(=C1)OC)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=C(C=C4)(N+)(=O)(O))OC
COc1cc(OC)cc(c1C=NNC(=O)c1nnn(c1c1ccc(cc1)(N+)(=O)(O))c1nonc1N)OC
InChI=1SC21H19N9O7c13413815(352)14(16(913)363)10232521(31)1718(114612(7511)30(32)33)29(282417)2019(22)26372720h410H13H3(H22226)(H2531)b2310+
MFCD04013069
ZINC000013511783
ZINC33526540

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Available files

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