3-[4-[[2,4-Bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-propenamide

CAS Registry Number®

725247-18-7

CAS Name

3-[4-[[2,4-Bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-propenamide

Molecular Formula

C23H13F9N4O3S

Molecular Mass

596.42

Cite this Page

3-[4-[[2,4-Bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-propenamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=725247-18-7 (retrieved 2024-11-22) (CAS RN: 725247-18-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H13F9N4O3S/c1-38-17-7-11(6-13(9-33)18(37)34-20-36-35-19(40-20)23(30,31)32)2-5-16(17)39-10-12-3-4-14(21(24,25)26)8-15(12)22(27,28)29/h2-8H,10H2,1H3,(H,34,36,37)

InChIKey

InChIKey=HQFNFOOGGLSBBT-UHFFFAOYSA-N

SMILES

C(OC1=C(OC)C=C(C=C(C(NC=2SC(C(F)(F)F)=NN2)=O)C#N)C=C1)C3=C(C(F)(F)F)C=C(C(F)(F)F)C=C3

Canonical SMILES

N#CC(=CC1=CC=C(OCC2=CC=C(C=C2C(F)(F)F)C(F)(F)F)C(OC)=C1)C(=O)NC3=NN=C(S3)C(F)(F)F

Other Names for this Substance

  • 2-Propenamide, 3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-
  • 3-[4-[[2,4-Bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-propenamide
  • XCT 790
  • 3-[4-[[2,4-Bis(trifluoromethyl)benzyl]oxy]-3-methoxyphenyl]-2-cyano-N-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)acrylamide

CAS INSIGHTSTM
Targeted protein degrader structure, illustration