Account TRK-IN-12
- Catalog No. :
- ACBYFG679
- CAS No. :
- 2823342-34-1
- Molecular Formula :
- C18H19ClFN5O3S
- Molecular Weight :
- 439.90
IUPAC Name:(13Z,14E)-8-((chloromethyl)sulfonyl)-45-fluoro-2-methyl-5-oxa-2,8-diaza-1(5,3)-pyrazolo[1,5-a]pyrimidina-4(1,2)-benzenacyclononaphane
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Product Information
| Product Name | TRK-IN-12 |
|---|---|
| IUPAC Name | (13Z,14E)-8-((chloromethyl)sulfonyl)-45-fluoro-2-methyl-5-oxa-2,8-diaza-1(5,3)-pyrazolo[1,5-a]pyrimidina-4(1,2)-benzenacyclononaphane |
| Molecular Formula | C18H19ClFN5O3S |
| Molecular Weight | 439.90 |
| SMILES | CN1CC2=C(C=CC(F)=C2)OCCN(CC3=C4N=C1C=CN4N=C3)S(=O)(CCl)=O |
| InChI Key | NTFOOZGBHCLKPT-UHFFFAOYSA-N |
| Synonym | 5-[(Chloromethyl)sulfonyl]-11-fluoro-4,5,6,7,13,14-hexahydro-14-methyl-1,15-etheno-1H-pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecine |
| CAS No. | 2823342-34-1 |
Synthetic Route by SureRoute
2. ACBYFG679 Molecular Building Block Synthetic Route
(7S,13R)-11-Fluoro-6,7,13,14-tetrahydro-7,13-dimethyl-1,15-etheno-1H-pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)-one
(S)-12-Amino-2-ethyl-45-fluoro-6-methyl-9-oxo-5-oxa-2,8-diaza-1(5,3)-pyrazolo[1,5-a]pyrimidina-4(1,2)-benzenacyclononaphane-46-carbonitrile
(4S)-4-(Difluoromethyl)-8-fluoro-3,4,13,14-tetrahydro-13,13-dimethyl-18,1-metheno-6H-[1,4]oxazino[3,4-i]pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-15(12H)-one