3-[(4-Methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]-4-oxo-4-phenylbutanoic acid CAS 956357-63-4

Purity 97%+In StockPharmaceutical Standards
CAS No.956357-63-4
Molecular FormulaC21H17F3N6O3S2
Molecular Weight522.52 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-[(4-Methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]-4-oxo-4-phenylbutanoic acid CAS 956357-63-4 chemical structure

Description

As a certified reference material (CRM), 3-[(4-Methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]-4-oxo-4-phenylbutanoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

CATO supplies 3-[(4-Methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]-4-oxo-4-phenylbutanoic acid (CAS 956357-63-4), a certified reference material (molecular formula C21H17F3N6O3S2, MW 522.52 g/mol) for analytical method development and quality control.

Based on its molecular formula C21H17F3N6O3S2, 3-[(4-Methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]-4-oxo-4-phenylbutanoic acid contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 522.52 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

Physical & Chemical Properties

Molecular FormulaC21H17F3N6O3S2
Molecular Weight522.52 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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)15.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF-containing
Nitrogen Atoms6
Sulfur Atoms2

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