Vestipitant

CAS Registry Number®

334476-46-9

CAS Name

Vestipitant

Molecular Formula

C23H24F7N3O

Molecular Mass

491.45

Cite this Page

Vestipitant.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=334476-46-9 (retrieved 2024-11-22) (CAS RN: 334476-46-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20-/m1/s1

InChIKey

InChIKey=SBBYBXSFWOLDDG-JLTOFOAXSA-N

SMILES

C(N([C@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C)(=O)N2[C@H](CNCC2)C3=C(C)C=C(F)C=C3

Canonical SMILES

O=C(N(C)C(C=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F)C)N2CCNCC2C3=CC=C(F)C=C3C

Other Names for this Substance

  • 1-Piperazinecarboxamide, N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-, (2S)-
  • (2S)-N-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-1-piperazinecarboxamide
  • Vestipitant

CAS INSIGHTSTM
Targeted protein degrader structure, illustration