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VIM-2-IN-1

CAT: 0013-GTR19186116-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186116-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VIM-2-IN-1 (compound 1dj) is a β-lactamase inhibitor active against VIM-2 and NDM-1 enzymes, with IC50 values of 48 μM and 231 μM, respectively. This small molecule is a research tool for studying antibiotic resistance mechanisms and for in vitro evaluation of combination therapies against carbapenem-resistant bacteria.
CAS Number
2452118-54-4
Field of Research
Infectious Disease & Virology
Smiles
C (NS (=O) (=O) C1=CC=C (I) C=C1) C2=C (COC (C) =O) N=NN2
Molecular Formula
C12H13IN4O4S
Molecular Weight
436.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Vim-2-IN-1
CAS Number2452118-54-4
PubChem CID162653701
IUPAC Name[5-[[(4-iodophenyl)sulfonylamino]methyl]-2H-triazol-4-yl]methyl acetate
Molecular FormulaC12H13IN4O4S
Molecular Weight436.23
XLogP0.5
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity476
SMILES
CC(=O)OCC1=NNN=C1CNS(=O)(=O)C2=CC=C(C=C2)I
InChI
InChI=1S/C12H13IN4O4S/c1-8(18)21-7-12-11(15-17-16-12)6-14-22(19,20)10-4-2-9(13)3-5-10/h2-5,14H,6-7H2,1H3,(H,15,16,17)
InChIKey
XYPUWRGAZUOXMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vim-2-IN-1
CAS: 2452118-54-4
CID: 162653701
Formula: C12H13IN4O4S
MW: 436.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.23
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass435.97022
Monoisotopic Mass435.97022
Topological Polar Surface Area122 Ų
Heavy Atom Count22
Formal Charge0
Complexity476
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

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