1. Primary Information
| English name: | Tecovirimat |
| CAS No.: | 869572-92-9 |
| Molecular formula: | C19H15F3N2O3 |
| Molecular weight: | 376.3 g/mol |
| SMILES: | C1C2C1C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CC=C(C=C5)C(F)(F)F |
| Structural class: | |
| Other identifiers: |
4-trifluoromethyl-N-(3,3a,4,4a,5,5a,6,6a-octahydro-1,3-dioxo-4,6-ethenocycloprop(f)isoindol-2(1H)-yl)-benzamide benzamide, N-((3aR,4R,4aR,5aS,6S,6aS)-3,3a,4,4a,5,5a,6,6a-octahydro-1,3-dioxo-4,6-ethenocycloprop(F)isoindol-2(1H)-yl)-4-(trifluoromethyl)-, hydrate (1:1), rel- N-((3aR,4R,4aR,5aS,6S,6aS)-1,3-Dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa(f)isoindol-2(1H)-yl)-4-(trifluoromethyl)benzamide SIGA-246 ST 246 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 96% | 1760 | 2-8℃ | in stock | - |
| Kehua Intelligence | 10mg | 96% | 2800 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25mg | 96% | 5440 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 96% | 12000 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
N-[(1S,2S,6R,7R,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-4-(trifluoromethyl)benzamide
4.2 InChI
InChI=1S/C19H15F3N2O3/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24-17(26)14-10-5-6-11(13-7-12(10)13)15(14)18(24)27/h1-6,10-15H,7H2,(H,23,25)/t10-,11+,12+,13-,14-,15+
4.3 InChIKey
CSKDFZIMJXRJGH-VWLPUNTISA-N
4.4 Canonical SMILES
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CC=C(C=C5)C(F)(F)F
4.5 Isomeric SMILES
C1[C@@H]2[C@H]1[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)NC(=O)C5=CC=C(C=C5)C(F)(F)F
