Vitas-M small molecule compound

ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate

Catalog ID
STK352264
SMILES CCOC(=O)c1onc(n1)Cn1ccc(n1)[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 C9H9N5O5 MW 267.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H9N5O5/c1-2-18-9(15)8-10-6(12-19-8)5-13-4-3-7(11-13)14(16)17/h3-4H,2,5H2,1H3
InChIKey
XXDFURHWMUTQIX-UHFFFAOYSA-N
Synonyms
956729-63-8
956729638
CCOC(=O)C1=NC(=NO1)CN2C=CC(=N2)(N+)(=O)(O)
CCOC(=O)c1onc(n1)Cn1ccc(n1)(N+)(=O)(O)
ethyl3((3nitro1Hpyrazol1yl)methyl)124oxadiazole5carboxylate
ETHYL3((3NITROPYRAZOL1YL)METHYL)124OXADIAZOLE5CARBOXYLATE
ETHYL3((3NITROPYRAZOLYL)METHYL)124OXADIAZOLE5CARBOXYLATE
InChI=1SC9H9N5O5c12189(15)8106(12198)513437(1113)14(16)17h34H25H21H3
MFCD07021773
ZINC000004754155
ZINC04754155
ZINC4754155

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.