3-((4-Nitrobenzyl)thio)-4-phenyl-5-(1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole CAS 477709-78-7

Purity 97%+In StockPharmaceutical Standards
CAS No.477709-78-7
Molecular FormulaC28H21N7O2S
Molecular Weight519.58 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-((4-Nitrobenzyl)thio)-4-phenyl-5-(1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole CAS 477709-78-7 chemical structure

Description

The occurrence of 3-((4-Nitrobenzyl)thio)-4-phenyl-5-(1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 3-((4-Nitrobenzyl)thio)-4-phenyl-5-(1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole (CAS 477709-78-7), a certified reference material (molecular formula C28H21N7O2S, MW 519.58 g/mol) for analytical method development and quality control.

The molecular framework of 3-((4-Nitrobenzyl)thio)-4-phenyl-5-(1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole (C28H21N7O2S) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC28H21N7O2S
Molecular Weight519.58 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)22.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms7
Sulfur Atoms1

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