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Mivotilate

CAT: 0931-T16082-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T16082-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
130112-42-4
Target
Aryl Hydrocarbon Receptor, Others
Related Pathways
Others, Immunology/Inflammation
Bioactivity
Mivotilate, a potent, non-toxic aryl hydrocarbon receptor (AhR) activator, functions as a hepatoprotective agent.
Smiles
CC(C)OC(=O)C(C(=O)Nc1nc(C)cs1)=C1SCS1
Molecular Formula
C12H14N2O3S3
Molecular Weight
330.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mivotilate

Mivotilate is a secondary carboxamide, an isopropyl ester and an aromatic amide.

CAS Number130112-42-4
PubChem CID148185
IUPAC Namepropan-2-yl 2-(1,3-dithietan-2-ylidene)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate
Molecular FormulaC12H14N2O3S3
Molecular Weight330.5
XLogP3.6
Topological Polar Surface Area147
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity434
SMILES
CC1=CSC(=N1)NC(=O)C(=C2SCS2)C(=O)OC(C)C
InChI
InChI=1S/C12H14N2O3S3/c1-6(2)17-10(16)8(11-19-5-20-11)9(15)14-12-13-7(3)4-18-12/h4,6H,5H2,1-3H3,(H,13,14,15)
InChIKey
WOUUWUGULFOVHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mivotilate
CAS: 130112-42-4
CID: 148185
Formula: C12H14N2O3S3
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass330.01665583
Monoisotopic Mass330.01665583
Topological Polar Surface Area147 Ų
Heavy Atom Count20
Formal Charge0
Complexity434
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
BA5846-1Mivotilate
HY-100242R-01Mivotilate (Standard)
A20504-25Mivotilate 25mg
A20504-10Mivotilate 10mg
A20504-100Mivotilate 100mg
A20504-50Mivotilate 50mg
A20504-5Mivotilate 5mg

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