Vitas-M small molecule compound

3-[2-(azepan-1-ylcarbonyl)phenyl]-1H-isochromen-1-one

Catalog ID
STK636002
SMILES O=C(c1ccccc1c1cc2ccccc2c(=O)o1)N1CCCCCC1

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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 C22H21NO3 MW 347.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO3/c24-21(23-13-7-1-2-8-14-23)19-12-6-5-11-18(19)20-15-16-9-3-4-10-17(16)22(25)26-20/h3-6,9-12,15H,1-2,7-8,13-14H2
InChIKey
NNYUVKRHKZLMIF-UHFFFAOYSA-N
Synonyms
951980-95-3
3(2(azepan1ylcarbonyl)phenyl)1Hisochromen1one
3(2(azepane1carbonyl)phenyl)1Hisochromen1one
3(2(azepane1carbonyl)phenyl)isochromen1one
951980953
C1CCCN(CC1)C(=O)C2=CC=CC=C2C3=CC4=CC=CC=C4C(=O)O3
InChI=1SC22H21NO3c2421(231371281423)1912651118(19)2015169341017(16)22(25)2620h3691215H12781314H2
MFCD09857877
ZINC000013731947
ZINC13731947

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Available files

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