Vitas-M small molecule compound

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

Catalog ID
STL042554
SMILES COc1ccc(cc1/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 C20H17N9O6 MW 479.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N9O6/c1-33-14-7-8-15(34-2)12(9-14)10-22-24-20(30)16-17(11-3-5-13(6-4-11)29(31)32)28(27-23-16)19-18(21)25-35-26-19/h3-10H,1-2H3,(H2,21,25)(H,24,30)/b22-10+
InChIKey
XAOFRDCKZCBMAZ-LSHDLFTRSA-N
Synonyms
587001-91-0
(E)1(4amino125oxadiazol3yl)N(25dimethoxybenzylidene)5(4nitrophenyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(25dimethoxyphenyl)methylidene)5(4nitrophenyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)(25DIMETHOXYPHENYL)METHYLIDENEAMINO)5(4NITROPHENYL)TRIAZOLE4CARBOXAMIDE
587001910
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)
COc1ccc(cc1C=NNC(=O)c1nnn(c1c1ccc(cc1)(N+)(=O)(O))c1nonc1N)OC
InChI=1SC20H17N9O6c133147815(342)12(914)10222420(30)1617(113513(6411)29(31)32)28(272316)1918(21)25352619h310H12H3(H22125)(H2430)b2210+
MFCD03171314
ZINC000001879452
ZINC33345750

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Available files

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