Vitas-M small molecule compound

4-chloro-1-(2,2-diethoxyethyl)-3-nitro-1H-pyrazole

Catalog ID
STK350517
SMILES CCOC(Cn1cc(c(n1)[N+](=O)[O-])Cl)OCC

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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 C9H14ClN3O4 MW 263.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H14ClN3O4/c1-3-16-8(17-4-2)6-12-5-7(10)9(11-12)13(14)15/h5,8H,3-4,6H2,1-2H3
InChIKey
VFGVJUQRPGJIGC-UHFFFAOYSA-N
Synonyms
1006951-79-6
1006951796
2(4CHLORO3NITROPYRAZOLYL)11DIETHOXYETHANE
4chloro1(22diethoxyethyl)3nitro1Hpyrazole
4chloro1(22diethoxyethyl)3nitropyrazole
CCOC(CN1C=C(C(=N1)(N+)(=O)(O))Cl)OCC
CCOC(Cn1cc(c(n1)(N+)(=O)(O))Cl)OCC
InChI=1SC9H14ClN3O4c13168(1742)61257(10)9(1112)13(14)15h58H346H212H3
MFCD08558497
ZINC000012394134
ZINC12394134

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Available files

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