Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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≥98% 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.
| Pubchem Sid | 488191800 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191800 |
| Canonical Smiles | CC1=CC(=C(N1C2=CC=CC=C2)C)C=C3C(=O)N4C5=CC=CC=C5N=C4S3 |
| IUPAC Name | (2E)-2-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| InChIKey | SJMYMKPBODEZSH-DEDYPNTBSA-N |
| INCHI | 1S/C22H17N3OS/c1-14-12-16(15(2)24(14)17-8-4-3-5-9-17)13-20-21(26)25-19-11-7-6-10-18(19)23-22(25)27-20/h3-13H,1-2H3/b20-13+ |
| Isomeric SMILES | CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/3\C(=O)N4C5=CC=CC=C5N=C4S3 |
| Molecular Weight | 371.45 |
| Reaxy-Rn | 19586941 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19586941&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 | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrroles |
| Alternative Parents | Benzimidazoles N-substituted imidazoles Benzene and substituted derivatives Thiazoles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-phenylpyrrole - Benzimidazole - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Thiazole - Heteroaromatic compound - Lactam - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 19, 2026 | I286819 | |
| Certificate of Analysis | Jan 19, 2026 | I286819 | |
| Certificate of Analysis | Jan 19, 2026 | I286819 | |
| Certificate of Analysis | Jan 19, 2026 | I286819 | |
| Certificate of Analysis | Jan 19, 2026 | I286819 | |
| Certificate of Analysis | Jan 19, 2026 | I286819 | |
| Certificate of Analysis | Jan 19, 2026 | I286819 | |
| Certificate of Analysis | Jan 19, 2026 | I286819 | |
| Certificate of Analysis | Jan 19, 2026 | I286819 | |
| Certificate of Analysis | Jan 19, 2026 | I286819 | |
| Certificate of Analysis | Dec 30, 2022 | I286819 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 1.86, Max Conc. mM: 5 |
|---|---|
| Molecular Weight | 371.500 g/mol |
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 371.109 Da |
| Monoisotopic Mass | 371.109 Da |
| Topological Polar Surface Area | 65.099 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 617.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |