Vitas-M small molecule compound

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

Catalog ID
STL041975
SMILES CCOc1ccccc1/C=N/NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N

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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 C20H17N9O5 MW 463.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N9O5/c1-2-33-15-6-4-3-5-13(15)11-22-24-20(30)16-17(12-7-9-14(10-8-12)29(31)32)28(27-23-16)19-18(21)25-34-26-19/h3-11H,2H2,1H3,(H2,21,25)(H,24,30)/b22-11+
InChIKey
QYTIXYKDDMFKIO-SSDVNMTOSA-N
Synonyms
578005-36-4
(E)1(4amino125oxadiazol3yl)N(2ethoxybenzylidene)5(4nitrophenyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(2ethoxyphenyl)methylidene)5(4nitrophenyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)(2ETHOXYPHENYL)METHYLIDENEAMINO)5(4NITROPHENYL)TRIAZOLE4CARBOXAMIDE
578005364
CCOC1=CC=CC=C1C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=C(C=C4)(N+)(=O)(O)
CCOc1ccccc1C=NNC(=O)c1nnn(c1c1ccc(cc1)(N+)(=O)(O))c1nonc1N
InChI=1SC20H17N9O5c123315643513(15)11222420(30)1617(127914(10812)29(31)32)28(272316)1918(21)25342619h311H2H21H3(H22125)(H2430)b2211+
MFCD01451223
ZINC000001879554
ZINC33345751

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Available files

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