Vitas-M small molecule compound

ethyl 3-{[(1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate

Catalog ID
STK948352
SMILES CCOC(=O)c1cccc(c1)NC(=O)c1cc2ccccc2c(=O)s1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C19H15NO4S MW 353.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15NO4S/c1-2-24-18(22)13-7-5-8-14(10-13)20-17(21)16-11-12-6-3-4-9-15(12)19(23)25-16/h3-11H,2H2,1H3,(H,20,21)
InChIKey
JLEFVGOXRHBJSR-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)S2
ethyl3(((1oxo1Hisothiochromen3yl)carbonyl)amino)benzoate
ETHYL3((1OXOBENZO(C)THIIN3YL)CARBONYLAMINO)BENZOATE
ethyl3((1oxoisothiochromene3carbonyl)amino)benzoate
InChI=1SC19H15NO4Sc122418(22)1375814(1013)2017(21)161112634915(12)19(23)2516h311H2H21H3(H2021)
MFCD12967719
ZINC000015838835
ZINC15838835

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.