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Details

Stereochemistry ACHIRAL
Molecular Formula C29H27F3N6O
Molecular Weight 532.5595
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Vamotinib

SMILES

CN1CCN(CC2=CC=C(NC(=O)C3=CC=C(C)C(=C3)C#CC4=NN=C5C=CC=CN45)C=C2C(F)(F)F)CC1

InChI

InChIKey=SLIVDYMORZGPLW-UHFFFAOYSA-N
InChI=1S/C29H27F3N6O/c1-20-6-7-22(17-21(20)9-11-27-35-34-26-5-3-4-12-38(26)27)28(39)33-24-10-8-23(25(18-24)29(30,31)32)19-37-15-13-36(2)14-16-37/h3-8,10,12,17-18H,13-16,19H2,1-2H3,(H,33,39)

HIDE SMILES / InChI

Molecular Formula C29H27F3N6O
Molecular Weight 532.5595
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
I8C3R768IZ
Record Status Validated (UNII)
Record Version