
| CAS Number | 1510829-06-7 |
| Catalog Number | AG01EO78(AGN-PC-3H468K) |
| Chemical Name | Vecabrutinib |
| IUPAC Name | (3R,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-[(3R)-3-[3-chloro-5-(trifluoromethyl)anilino]-2-oxopiperidin-1-yl]piperidine-4-carboxamide |
| InChI | InChI=1S/C22H24ClF4N7O2/c23-12-6-11(22(25,26)27)7-13(8-12)32-15-2-1-4-34(21(15)36)16-9-33(5-3-14(16)19(29)35)20-17(24)18(28)30-10-31-20/h6-8,10,14-16,32H,1-5,9H2,(H2,29,35)(H2,28,30,31)/t14-,15+,16-/m0/s1 |
| InChI Key | QLRRJMOBVVGXEJ-XHSDSOJGSA-N |
| MDL Number | MFCD31692359 |
| Molecular Formula | C22H24ClF4N7O2 |
| Molecular Weight | 529.9183 |
| SMILES | C(N)(=O)[C@@H]1[C@H](CN(CC1)C=2C(F)=C(N)N=CN2)N3C(=O)[C@H](NC4=CC(C(F)(F)F)=CC(Cl)=C4)CCC3 |
| UNII | PQ7O0OB5GU |
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