Methyl (2E)-4-{[(4E)-5-oxo-4-{[4-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}but-2-enoate CAS 1164520-68-6
| CAS No. | 1164520-68-6 |
| Molecular Formula | C17H15N5O3S |
| Molecular Weight | 369.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl (2E)-4-{[(4E)-5-oxo-4-{[4-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}but-2-enoate 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 Methyl (2E)-4-{[(4E)-5-oxo-4-{[4-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}but-2-enoate (CAS 1164520-68-6), a certified reference material (molecular formula C17H15N5O3S, MW 369.40 g/mol) for analytical method development and quality control.
Structurally, Methyl (2E)-4-{[(4E)-5-oxo-4-{[4-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}but-2-enoate (C17H15N5O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 369.40 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures Methyl (2E)-4-{[(4E)-5-oxo-4-{[4-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}but-2-enoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C17H15N5O3S |
| Molecular Weight | 369.40 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Recommended Standards
- 3-(Phenylthio)-N-(2-(3-(trifluoromethyl)phenoxy)ethyl)propanamide (CAS 1105211-97-9)
- N-Cyclopentyl-1-(4-(trifluoromethyl)benzo[d]thiazol-2-yl)azetidine-3-carboxamide (CAS 1396565-72-2)
- Tegoprazan impurity 34 (CAS CATO-C4X-229734)
- N-(2-(4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)-3-(phenylthio)propanamide (CAS 1396635-58-7)
- tert-Butyl (3,4-difluoro-2-formylphenyl)carbamate (CAS 144298-09-9)
- Ethyl 4-methylcyclohexa-1,4-dienecarboxylate (CAS 118451-60-8)
- 3-Bromo-5-methoxy-2-nitropyridine (CAS 1705547-96-1)
- 4-iodo-5-methylisoxazol-3-amine (CAS 930-85-8)
- Vazegepant Impurity 30 (CAS CATO-C4X-320030)
- 3-Chloro-1,2-dihydroquinoxalin-2-one (CAS 35676-70-1)
- tert-Butyl 3-(bromomethyl)-5-(trifluoromethyl)-1H-indole-1-carboxylate (CAS 1823499-57-5)
- Urapidil Impurity 29 (CAS 21103-25-3)
- 2-Propynoic acid, 3-(2-pyrazinyl)-, ethyl ester (CAS 548757-45-5)
- Peptide 440 (CAS CATO-CPTD788440)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com