Vitas-M small molecule compound

1-{[(3-methoxybenzylidene)amino]oxy}-2-(4-nitro-1H-pyrazol-1-yl)ethanone

Catalog ID
STK451536
SMILES COc1cccc(c1)/C=N\OC(=O)Cn1ncc(c1)[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 C13H12N4O5 MW 304.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O5/c1-21-12-4-2-3-10(5-12)6-15-22-13(18)9-16-8-11(7-14-16)17(19)20/h2-8H,9H2,1H3
InChIKey
VQOCBDCESQZAFL-UHFFFAOYSA-N
Synonyms

((3METHOXYPHENYL)METHYLIDENEAMINO)2(4NITROPYRAZOL1YL)ACETATE
(1Z)2(3METHOXYPHENYL)1AZAVINYL2(4NITROPYRAZOLYL)ACETATE
1(((3methoxybenzylidene)amino)oxy)2(4nitro1Hpyrazol1yl)ethanone
3METHOXYBENZALDEHYDEO(2(4NITRO1HPYRAZOL1YL)ACETYL)OXIME
COC1=CC=CC(=C1)C=NOC(=O)CN2C=C(C=N2)(N+)(=O)(O)
COc1cccc(c1)C=NOC(=O)Cn1ncc(c1)(N+)(=O)(O)
InChI=1SC13H12N4O5c1211242310(512)6152213(18)916811(71416)17(19)20h28H9H21H3
MFCD02174028
ZINC000239235245

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Available files

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