Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | NCCCNC(=O)c1ccc(s1)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)C(=O)O |
|---|---|
| IUPAC Name | 3-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-5-{4-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-1-yl}benzoic acid |
| InChIKey | VYXSDIPOJBFWHQ-UHFFFAOYSA-N |
| INCHI | 1S/C24H20F3N5O3S/c25-24(26,27)17-4-2-14(3-5-17)19-13-32(31-30-19)18-11-15(10-16(12-18)23(34)35)20-6-7-21(36-20)22(33)29-9-1-8-28/h2-7,10-13H,1,8-9,28H2,(H,29,33)(H,34,35) |
| Isomeric SMILES | C1=CC(=CC=C1C2=CN(N=N2)C3=CC(=CC(=C3)C(=O)O)C4=CC=C(S4)C(=O)NCCCN)C(F)(F)F |
| PubChem CID | 134611895 |
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 | Trifluoromethylbenzenes Benzoic acids Thiophene carboxamides Benzoyl derivatives 2-heteroaryl carboxamides 2,5-disubstituted thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,3-triazole - Trifluoromethylbenzene - Benzoic acid - Benzoic acid or derivatives - 2-heteroaryl carboxamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Benzoyl - 2,5-disubstituted thiophene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic 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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