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VPC162134

CAT: 0013-GTR19241353-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241353-02Size:50 mg
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Description
VPC162134 is a small molecule antibacterial agent and pyruvate ferredoxin oxidoreductase (PFOR) inhibitor. It exhibits in vitro activity against pathogens including H. pylori (MIC 2.9 μM), C. jejuni, MRSA, and S. epidermidis, making it a candidate for research in infectious disease and antimicrobial mechanism studies.
CAS Number
1245813-92-6
Field of Research
Infectious Disease & Virology
Smiles
Cl.O=C (NC1=NC=C (S1) N (=O) =O) C=2C=CC=CC2CCCN
Molecular Formula
C13H15ClN4O3S
Molecular Weight
342.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(3-aminopropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride
CAS Number1245813-92-6
PubChem CID46916955
IUPAC Name2-(3-aminopropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride
Molecular FormulaC13H15ClN4O3S
Molecular Weight342.80
Topological Polar Surface Area142
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity377
SMILES
C1=CC=C(C(=C1)CCCN)C(=O)NC2=NC=C(S2)[N+](=O)[O-].Cl
InChI
InChI=1S/C13H14N4O3S.ClH/c14-7-3-5-9-4-1-2-6-10(9)12(18)16-13-15-8-11(21-13)17(19)20;/h1-2,4,6,8H,3,5,7,14H2,(H,15,16,18);1H
InChIKey
NJLRBHXFDYMOLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-aminopropyl)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride
CAS: 1245813-92-6
CID: 46916955
Formula: C13H15ClN4O3S
MW: 342.80
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.80
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass342.0553392
Monoisotopic Mass342.0553392
Topological Polar Surface Area142 Ų
Heavy Atom Count22
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-171005VPC162134

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