VUFB-12434

Molecular Formula: C₃₂H₃₁ClF₂N₂O₅S

InChI: InChI=1/C28H27ClF2N2OS.C4H4O4/c29-20-6-9-27-23(15-20)19(2-1-3-26(34)18-4-7-21(30)8-5-18)14-24-25(33-12-10-32-11-13-33)16-22(31)17-28(24)35-27;5-3(6)1-2-4(7)8/h4-9,15-17,19,32H,1-3,10-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1-/fC28H28ClF2N2OS.C4H3O4/h33H;5H/q+1;-1

InChIKey: InChIKey=RQUBTVZGOQXLSD-FBQUQSEGDS
SMILES: C1C[NH+](CCN1)C2=CC(=CC3=C2CC(C4=C(S3)C=CC(=C4)Cl)CCCC(=O)C5=CC=C(C=C5)F)F.C(=CC(=O)[O-])C(=O)O

Names:
    VUFB-12434
    1-Butanone, 4-(4-(8-chloro-10,11-dihydro-3-fluorodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)-1-(4-fluorophenyl)-, (Z)-2-butenedioate (1:1)
    1-BUTANONE, 4-(4-(8-CHLORO-10,11-DIHYDRO-3-FLUORODIBENZO(b,f)THIEPIN-10-YL)-1-PI
    77795-82-5

Registries:
    PubChem CID 6435362
    PubChem ID 191558