Account (S)-2-(3-(3,5-Bis(trifluoromethyl)phenyl)thioureido)-N-((S)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)-3,3-dimethylbutanamide
- Catalog No. :
- ACULDN125
- CAS No. :
- 1374450-09-5
- Molecular Formula :
- C35H39F6N5O2S
- Molecular Weight :
- 707.78
IUPAC Name:(S)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N-((S)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)-3,3-dimethylbutanamide
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Product Information
| Product Name | (S)-2-(3-(3,5-Bis(trifluoromethyl)phenyl)thioureido)-N-((S)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)-3,3-dimethylbutanamide |
|---|---|
| IUPAC Name | (S)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N-((S)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)-3,3-dimethylbutanamide |
| Molecular Formula | C35H39F6N5O2S |
| Molecular Weight | 707.78 |
| SMILES | FC(F)(F)C1=CC(C(F)(F)F)=CC(NC(N[C@@H](C(C)(C)C)C(N[C@@H](C2=CC=NC3=C2C=C(OC)C=C3)[C@@]4([H])[N@@]5C[C@H](C=C)[C@@H](CC5)C4)=O)=S)=C1 |
| InChI Key | FOTOPDIZEWZLSC-ZKDUMEGJSA-N |
| Synonym | (2S)-2-[[[[3,5-bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-[(8α,9S)-6'-methoxycinchonan-9-yl]-3,3-dimethyl-Butanamide;Butanamide, 2-[[[[3,5-bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-[(8α,9S)-6'-methoxycinchonan-9-yl]-3,3-dimethyl-, (2S)-;(2S)-2-[[[[3,5-Bis(trifluoromethyl)phenyl]amino]thioxomethyl]amino]-N-[(8α,9S)-6'-methoxycinchonan-9-yl]-3,3-dimethylbutanamide |
| CAS No. | 1374450-09-5 |
Safety Data
- Pictogram
- Signal Word
- Warning
- 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. ACULDN125 Molecular Building Block Synthetic Route
(2S)-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N-((1R)-(6-methoxyquinolin-4-yl)(5-vinylquinuclidin-2-yl)methyl)-3,3-dimethylbutanamide
1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R)-(6-methoxyquinolin-4-yl)((2R,4S,5R)-5-vinylquinuclidin-2-yl)methyl)thiourea
1-(3,5-Bis(trifluoromethyl)phenyl)-3-((S)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)thiourea