≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Vebicorvir (ABI-H0731) is a first-generation hepatitis B virus (HBV) core protein inhibitor. Vebicorvir (ABI-H0731) suppresses covalently closed circular DNA (cccDNA) formation in two de novo infection models with EC50s from 1.84 μM to 7.3 μM。
| ALogP | 2.4 |
|---|
| Canonical Smiles | C1=CC=C2C(=C1)C(=O)NC3=C(S2(=O)=O)C=CC(=C3)C(=O)NCC4=CN=C(S4)C(F)(F)F |
|---|---|
| IUPAC Name | 6,11,11-trioxo-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide |
| InChIKey | LBJVBJYMZKEREY-UHFFFAOYSA-N |
| INCHI | 1S/C19H12F3N3O4S2/c20-19(21,22)18-24-9-11(30-18)8-23-16(26)10-5-6-15-13(7-10)25-17(27)12-3-1-2-4-14(12)31(15,28)29/h1-7,9H,8H2,(H,23,26)(H,25,27) |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=O)NC3=C(S2(=O)=O)C=CC(=C3)C(=O)NCC4=CN=C(S4)C(F)(F)F |
| Molecular Weight | 467.44 |
| Reaxy-Rn | 33496315 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33496315&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazepines |
| Subclass | Dibenzothiazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzothiazepines |
| Alternative Parents | 2,5-disubstituted thiazoles Benzenoids Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzothiazepine - 2,5-disubstituted 1,3-thiazole - Benzenoid - Heteroaromatic compound - Thiazole - Sulfone - Azole - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dibenzothiazepines. These are compounds containing a dibenzothiazepine moiety, which consists of two benzene connected by a thiazepine ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2426798 | Certificate of Analysis | Jan 19, 2024 | A579444 |
| B2426807 | Certificate of Analysis | Jan 19, 2024 | A579444 |
| B2426808 | Certificate of Analysis | Jan 19, 2024 | A579444 |
| B2426809 | Certificate of Analysis | Jan 19, 2024 | A579444 |
| B2426813 | Certificate of Analysis | Jan 19, 2024 | A579444 |
| B2426814 | Certificate of Analysis | Jan 19, 2024 | A579444 |
| B2426815 | Certificate of Analysis | Jan 19, 2024 | A579444 |
| B2426816 | Certificate of Analysis | Jan 19, 2024 | A579444 |
| B2426817 | Certificate of Analysis | Jan 19, 2024 | A579444 |
| B2426824 | Certificate of Analysis | Jan 19, 2024 | A579444 |
| B2426825 | Certificate of Analysis | Jan 19, 2024 | A579444 |
| G2531035 | Certificate of Analysis | Jan 19, 2024 | A579444 |
| Molecular Weight | 467.400 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 467.022 Da |
| Monoisotopic Mass | 467.022 Da |
| Topological Polar Surface Area | 142.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 817.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
