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Vitacoxib

CAT: 1410-M11543-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M11543-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, selective COX-2 inhibitor with IC50 of 0.34 ug/mL.
CAS Number
1374128-90-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
347.82
Molecular Formula
C16H14ClN3O2S
Notes
Research use only, not for human use.
Receptor
COX

Chemical Information

Vitacoxib
CAS Number1374128-90-1
PubChem CID57336158
IUPAC Name2-[4-chloro-5-(4-methylphenyl)imidazol-1-yl]-5-methylsulfonylpyridine
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.8
XLogP3.2
Topological Polar Surface Area73.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity502
SMILES
CC1=CC=C(C=C1)C2=C(N=CN2C3=NC=C(C=C3)S(=O)(=O)C)Cl
InChI
InChI=1S/C16H14ClN3O2S/c1-11-3-5-12(6-4-11)15-16(17)19-10-20(15)14-8-7-13(9-18-14)23(2,21)22/h3-10H,1-2H3
InChIKey
NSWKPXFHCORWAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vitacoxib
CAS: 1374128-90-1
CID: 57336158
Formula: C16H14ClN3O2S
MW: 347.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.8
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass347.0495256
Monoisotopic Mass347.0495256
Topological Polar Surface Area73.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19200190-01Vitacoxib
HY-116243SVitacoxib-d3

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