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VUAA1 - ≥98%(HPLC), high purity , CAS No.525582-84-7

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 525582-84-7
Molecular Weight: 367.47
MDL number: MFCD03194936
PubChem CID: 1319135

In stock

Item Number

V769229

Grouped product items
SKU	Size	Availability	Price	Qty
V769229-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$875.90

Basic Description

Specifications & Purity	≥98%(HPLC)
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	VUAA1 is a highly conserved agonist of the insect odorant receptor co-receptor ion channel Orco.VUAA1 is able to activate both heterodimeric and homodimeric Orco-containing channels, and acts as a repellent by over-activating the olfactory senses of the insect to induce repellency.VUAA1 is a highly conserved agonist of the insect odorant receptor co-receptor ion channel Orco.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridyltriazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridyltriazoles
Intermediate Tree Nodes	Not available
Direct Parent	Pyridyl-1,2,4-triazoles
Alternative Parents	Anilides N-arylamides Alkylarylthioethers Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridyl-1,2,4-triazole - Anilide - Aryl thioether - N-arylamide - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Triazole - Heteroaromatic compound - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Thioether - Azacycle - Sulfenyl compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	N-(4-ethylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
INCHI	InChI=1S/C19H21N5OS/c1-3-14-7-9-16(10-8-14)21-17(25)13-26-19-23-22-18(24(19)4-2)15-6-5-11-20-12-15/h5-12H,3-4,13H2,1-2H3,(H,21,25)
InChIKey	UWCCKVJVOHTHAF-UHFFFAOYSA-N
Smiles	CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=CN=CC=C3
Isomeric SMILES	CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=CN=CC=C3
PubChem CID	1319135
Molecular Weight	367.47

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	367.500 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	367.147 Da
Monoisotopic Mass	367.147 Da
Topological Polar Surface Area	98.000 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	444.000
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

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