![1,3,5-Triazine-2,4(1H,3H)-dione, 6-[(6-chloro-2-methyl-2H-indazol-5-yl)imino]dihydro-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-, (6E)- structure, CAS 2647530-73-0](/structures/210000/191599_1_2647530_73_0.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2647530-73-0 |
| Catalog No. | 2A-1190170 |
| Chinese Name | Ensitrelvir |
| Molecular Formula | C22H17ClF3N9O2 |
| Molecular Weight | 531.88 |
| Appearance | solid |
| Storage Condition | 2-8°C, sealed, dry |
| Application | Ensitrelvir (S-217622) is the first orally active non-covalent, non-peptide SARS-CoV-2 3CL protease inhibitor (IC50=13nm) [1][2]. |
| PubChem ID | 459631094 |
| SMILES | Cn1cnc(Cn2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1 |
| InChI | InChI=1S/C22H17ClF3N9O2/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24/h3-7,10H,8-9H2,1-2H3,(H,28,29,36) |
| InChI Key | QMPBBNUOBOFBFS-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 51111800 |
| Transport Info | Product Name: Ensitrelvir |
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