Account (2E)-3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-{[3-(trifluoromethyl)phenyl]methanesulfonyl}prop-2-enenitrile
- Catalog No. :
- ACITUF993
- CAS No. :
- 1024754-35-5
- Molecular Formula :
- C21H17ClF6N4O2S
- Molecular Weight :
- 538.90
IUPAC Name:(E)-3-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-2-((3-(trifluoromethyl)benzyl)sulfonyl)acrylonitrile
![(2E)-3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-{[3-(trifluoromethyl)phenyl]methanesulfonyl}prop-2-enenitrile structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2E)-3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-{[3-(trifluoromethyl)phenyl]methanesulfonyl}prop-2-enenitrile |
|---|---|
| IUPAC Name | (E)-3-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-2-((3-(trifluoromethyl)benzyl)sulfonyl)acrylonitrile |
| MDL No. | MFCD01567364 |
| Molecular Formula | C21H17ClF6N4O2S |
| Molecular Weight | 538.90 |
| SMILES | N#C/C(S(=O)(CC1=CC=CC(C(F)(F)F)=C1)=O)=C\N2CCN(C3=NC=C(C(F)(F)F)C=C3Cl)CC2 |
| InChI Key | OGOBPPGOLCRKKH-SFQUDFHCSA-N |
| Synonym | 3-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))PIPERAZINYL)-2-((3-(TRIFLUOROMETHYL)BENZYL)SULFONYL)PROP-2-ENENITRILE;(2E)-3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-{[3-(trifluoromethyl)phenyl]methanesulfonyl}prop-2-enenitrile;2-Propenenitrile, 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-[[[3-(trifluoromethyl)phenyl]methyl]sulfonyl]- |
| CAS No. | 1024754-35-5 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACITUF993 Molecular Building Block Synthetic Route
Ethyl N-[(2E)-2-({4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methylidene)-2-cyanoacetyl]carbamate
(3E)-3-[Amino({4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl})methylidene]prop-1-ene-1,1,3-tricarbonitrile
(2E)-3-Amino-3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-cyano-N-methylprop-2-enethioamide