Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | O=C1CC(=O)N(c2c(N1)c1ccccc1cc2)c1cccc(c1)c1noc(=S)[nH]1 |
|---|---|
| IUPAC Name | 5-[3-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]-1H-benzo[g][1,5]benzodiazepine-2,4-dione |
| InChIKey | BNMITFGQPNUZHK-UHFFFAOYSA-N |
| INCHI | 1S/C21H14N4O3S/c26-17-11-18(27)25(14-6-3-5-13(10-14)20-23-21(29)28-24-20)16-9-8-12-4-1-2-7-15(12)19(16)22-17/h1-10H,11H2,(H,22,26)(H,23,24,29) |
| Isomeric SMILES | C1C(=O)NC2=C(C=CC3=CC=CC=C32)N(C1=O)C4=CC=CC(=C4)C5=NC(=S)ON5 |
| PubChem CID | 57336054 |
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 | Benzodiazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodiazepines |
| Alternative Parents | Phenyloxadiazoles Naphthalenes 1,4-diazepines 1,3-dicarbonyl compounds Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Amino acids and derivatives Tertiary amines Oxacyclic compounds Azacyclic compounds Organosulfur compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,4-oxadiazole - Benzodiazepine - Naphthalene - Para-diazepine - 1,3-dicarbonyl compound - Benzenoid - Monocyclic benzene moiety - 1,2,4-oxadiazole - Oxadiazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Tertiary amine - Carboxamide group - Amino acid or derivatives - Lactam - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms). |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
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