Vitas-M small molecule compound

methyl 3-{[3-(morpholin-4-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}benzoate

Catalog ID
STK805891
SMILES COC(=O)c1cccc(c1)NC1=C(N2CCOCC2)C(=O)c2c(C1=O)cccc2

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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 C22H20N2O5 MW 392.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5/c1-28-22(27)14-5-4-6-15(13-14)23-18-19(24-9-11-29-12-10-24)21(26)17-8-3-2-7-16(17)20(18)25/h2-8,13,23H,9-12H2,1H3
InChIKey
NNRAMKZXVGREIB-UHFFFAOYSA-N
Synonyms
150127-58-5
150127585
COC(=O)C1=CC(=CC=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCOCC4
InChI=1SC22H20N2O5c12822(27)1454615(1314)231819(2491129121024)21(26)17832716(17)20(18)25h281323H912H21H3
methyl3((3(morpholin4yl)14dioxo14dihydronaphthalen2yl)amino)benzoate
METHYL3((3MORPHOLIN4YL14DIOXONAPHTHALEN2YL)AMINO)BENZOATE
methyl3((3morpholino14dioxo14dihydronaphthalen2yl)amino)benzoate
MFCD01469739
ZINC000004733678
ZINC04733678
ZINC4733678

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Available files

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