Vitas-M small molecule compound

5-(diethylammonio)-2-[(E)-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]hydrazinylidene}methyl]phenolate

Catalog ID
STL051745
SMILES CC[NH+](c1ccc(c(c1)[O-])/C=N/NC(=O)Cn1nc(c(c1C)[N+](=O)[O-])C)CC

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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 C18H24N6O4 MW 388.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N6O4/c1-5-22(6-2)15-8-7-14(16(25)9-15)10-19-20-17(26)11-23-13(4)18(24(27)28)12(3)21-23/h7-10,25H,5-6,11H2,1-4H3,(H,20,26)/b19-10+
InChIKey
WZYRUICZPILXJH-VXLYETTFSA-N
Synonyms
1006559-48-3
1006559483
5(diethylammonio)2((E)(2((35dimethyl4nitro1Hpyrazol1yl)acetyl)hydrazinylidene)methyl)phenolate
5(diethylazaniumyl)2((E)((2(35dimethyl4nitropyrazol1yl)acetyl)hydrazinylidene)methyl)phenolate
CC(NH+)(c1ccc(c(c1)(O))C=NNC(=O)Cn1nc(c(c1C)(N+)(=O)(O))C)CC
CC(NH+)(CC)C1=CC(=C(C=C1)C=NNC(=O)CN2C(=C(C(=N2)C)(N+)(=O)(O))C)(O)
InChI=1SC18H24N6O4c1522(62)158714(16(25)915)10192017(26)112313(4)18(24(27)28)12(3)2123h71025H5611H214H3(H2026)b1910+
MFCD01888337
ZINC000001316237

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Available files

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