1. Primary Information
| English name: | (Z)-3-((3-((4-(morpholinomethyl)-1H-pyrrol-2-yl)methylene)-2-oxoindolin-5-yl)methyl)thiazolidine-2,4-dione hydrochloride |
| CAS No.: | 1265965-19-2 |
| Molecular formula: | C22H23ClN4O4S |
| Molecular weight: | 475.0 g/mol |
| SMILES: | C1COCCN1CC2=CNC(=C2)C=C3C4=C(C=CC(=C4)CN5C(=O)CSC5=O)NC3=O.Cl |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 960 | -20°C | in stock | - |
| Kehua Intelligence | 10mg | 98% | 1600 | -20°C | in stock | - |
| Kehua Intelligence | 25mg | 98% | 2880 | -20°C | in stock | - |
| Kehua Intelligence | 50mg | 98% | 4800 | -20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
4.2 InChI
InChI=1S/C22H22N4O4S.ClH/c27-20-13-31-22(29)26(20)12-14-1-2-19-17(8-14)18(21(28)24-19)9-16-7-15(10-23-16)11-25-3-5-30-6-4-25;/h1-2,7-10,23H,3-6,11-13H2,(H,24,28);1H/b18-9-;
4.3 InChIKey
FPSAJUOIYZSJJA-NAIZSXBXSA-N
4.4 Canonical SMILES
C1COCCN1CC2=CNC(=C2)C=C3C4=C(C=CC(=C4)CN5C(=O)CSC5=O)NC3=O.Cl
4.5 Isomeric SMILES
C1COCCN1CC2=CNC(=C2)/C=C\3/C4=C(C=CC(=C4)CN5C(=O)CSC5=O)NC3=O.Cl
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 --
