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VP-4556

CAT: 0013-GTR19187945-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187945-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VP-4556 is a potent small-molecule agent effective against methicillin-resistant Staphylococcus aureus (MRSA), demonstrating an MIC of 8 μg/mL against the ATCC 43300 strain with over 95% growth inhibition. Its activity supports research into novel anti-infective therapies, applicable in both in vitro microbiological studies and in vivo models of bacterial infection.
CAS Number
654633-67-7
Field of Research
Infectious Disease & Virology
Smiles
S (=O) (=O) (N1C2CC (C1) C=C2) C3=CC=C (N (=O) =O) C=C3
Molecular Formula
C12H12N2O4S
Molecular Weight
280.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(4-Nitrophenyl)sulfonyl-2-azabicyclo[2.2.1]hept-5-ene
CAS Number654633-67-7
PubChem CID4046620
IUPAC Name2-(4-nitrophenyl)sulfonyl-2-azabicyclo[2.2.1]hept-5-ene
Molecular FormulaC12H12N2O4S
Molecular Weight280.30
XLogP1.5
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity497
SMILES
C1C2CN(C1C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H12N2O4S/c15-14(16)10-3-5-12(6-4-10)19(17,18)13-8-9-1-2-11(13)7-9/h1-6,9,11H,7-8H2
InChIKey
YAXBZNUOEWMQDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Nitrophenyl)sulfonyl-2-azabicyclo[2.2.1]hept-5-ene
CAS: 654633-67-7
CID: 4046620
Formula: C12H12N2O4S
MW: 280.30
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.30
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass280.05177804
Monoisotopic Mass280.05177804
Topological Polar Surface Area91.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity497
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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