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Vatalanib

CAT: 1410-M13374-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M13374-04Size:50 mg
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Description
A potent, orally available class III receptor tyrosine kinases inhibitor with IC50 of <1 uM for VEGFR, Flt-1, KDR and PDGFRβ.
CAS Number
212141-51-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
419.7348
Molecular Formula
C20H17Cl3N4
Notes
Research use only, not for human use.
Receptor
PDGFRβ|VEGFR1/FLT1|VEGFR2/Flk1|VEGFR2/KDR|VEGFR3/FLT4

Chemical Information

Vatalanib dihydrochloride

Vatalanib dihydrochloride is a member of phthalazines.

CAS Number212141-51-0
PubChem CID22386467
IUPAC NameN-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;dihydrochloride
Molecular FormulaC20H17Cl3N4
Molecular Weight419.7
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity407
SMILES
C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4.Cl.Cl
InChI
InChI=1S/C20H15ClN4.2ClH/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14;;/h1-12H,13H2,(H,23,25);2*1H
InChIKey
AZUQEHCMDUSRLH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vatalanib dihydrochloride
CAS: 212141-51-0
CID: 22386467
Formula: C20H17Cl3N4
MW: 419.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight419.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass418.051880
Monoisotopic Mass418.051880
Topological Polar Surface Area50.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity407
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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