Catalog Number:
AG0021IR
Chemical Name:
S63845
CAS Number:
1799633-27-4
Molecular Formula:
C39H37ClF4N6O6S
Molecular Weight:
829.2593
MDL Number:
MFCD31382374
IUPAC Name:
(2R)-2-[5-[3-chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]propanoic acid
InChI:
InChI=1S/C39H37ClF4N6O6S/c1-23-26(7-8-28(34(23)40)53-18-17-49-15-13-48(2)14-16-49)32-33-36(45-22-46-37(33)57-35(32)29-9-10-31(41)55-29)56-30(38(51)52)19-24-5-3-4-6-27(24)54-20-25-11-12-47-50(25)21-39(42,43)44/h3-12,22,30H,13-21H2,1-2H3,(H,51,52)/t30-/m1/s1
InChI Key:
ZFBHXVOCZBPADE-SSEXGKCCSA-N
SMILES:
CN1CCN(CC1)CCOc1ccc(c(c1Cl)C)c1c(sc2c1c(ncn2)O[C@@H](C(=O)O)Cc1ccccc1OCc1ccnn1CC(F)(F)F)c1ccc(o1)F
