≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CN2C=C(N=C2S1)CC(=O)N3CCC4(CC3)CN(C4)CC5=C(C=C(C=C5)N6N=CC=N6)Cl |
|---|---|
| IUPAC Name | 1-[2-[[2-chloro-4-(triazol-2-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethanone |
| InChIKey | MTDYDDJVCIHZKH-UHFFFAOYSA-N |
| INCHI | 1S/C24H26ClN7OS/c1-17-12-31-14-19(28-23(31)34-17)10-22(33)30-8-4-24(5-9-30)15-29(16-24)13-18-2-3-20(11-21(18)25)32-26-6-7-27-32/h2-3,6-7,11-12,14H,4-5,8-10,13,15-16H2,1H3 |
| Isomeric SMILES | CC1=CN2C=C(N=C2S1)CC(=O)N3CCC4(CC3)CN(C4)CC5=C(C=C(C=C5)N6N=CC=N6)Cl |
| WGK Germany | 3 |
| PubChem CID | 70682037 |
| Molecular Weight | 496.03 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,3-triazoles |
| Alternative Parents | N-acylpiperidines Phenylmethylamines Benzylamines Aralkylamines Chlorobenzenes N-substituted imidazoles Aryl chlorides Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azetidines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,3-triazole - N-acyl-piperidine - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Piperidine - Benzenoid - N-substituted imidazole - Thiazole - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Amine - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
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| Solubility | Solvent:DMSO, Max Conc. mg/mL: 24.8, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 9.92, Max Conc. mM: 20 |
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| Molecular Weight | 496.000 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 495.161 Da |
| Monoisotopic Mass | 495.161 Da |
| Topological Polar Surface Area | 99.800 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 739.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
