1. Primary Information
| English name: | N-[1-cyano-2-[4-(2-ethyl-1,3-thiazol-5-yl)-2-fluorophenyl]ethyl]-6-azatricyclo[3.2.1.02,4]octane-7-carboxamide |
| CAS No.: | 37224-29-6 |
| Molecular formula: | C22H23FN4OS |
| Molecular weight: | 410.5 g/mol |
| SMILES: | CCC1=NC=C(S1)C2=CC(=C(C=C2)CC(C#N)NC(=O)C3C4CC(N3)C5C4C5)F |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25g | 分离:肽及球形蛋白质：3000～80000；葡聚糖(线性分子)：1000～50000 | 240 | RT | in stock | - |
| Kehua Intelligence | 100g | 分离:肽及球形蛋白质：3000～80000；葡聚糖(线性分子)：1000～50000 | 840 | RT | in stock | - |
| Kehua Intelligence | 500g | 分离:肽及球形蛋白质：3000～80000；葡聚糖(线性分子)：1000～50000 | 3840 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
N-[1-cyano-2-[4-(2-ethyl-1,3-thiazol-5-yl)-2-fluorophenyl]ethyl]-6-azatricyclo[3.2.1.02,4]octane-7-carboxamide
4.2 InChI
InChI=1S/C22H23FN4OS/c1-2-20-25-10-19(29-20)12-4-3-11(17(23)6-12)5-13(9-24)26-22(28)21-16-8-18(27-21)15-7-14(15)16/h3-4,6,10,13-16,18,21,27H,2,5,7-8H2,1H3,(H,26,28)
4.3 InChIKey
MBNDRKVILGAANK-UHFFFAOYSA-N
4.4 Canonical SMILES
CCC1=NC=C(S1)C2=CC(=C(C=C2)CC(C#N)NC(=O)C3C4CC(N3)C5C4C5)F
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
