Vitas-M small molecule compound

5-(furan-2-yl)-2-{[(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)amino]methylidene}cyclohexane-1,3-dione

Catalog ID
STK680167
SMILES O=C1CC(CC(=O)/C/1=C\NCC1NCCc2c1cccc2)c1ccco1

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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 C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c24-19-10-15(21-6-3-9-26-21)11-20(25)17(19)12-22-13-18-16-5-2-1-4-14(16)7-8-23-18/h1-6,9,12,15,18,22-23H,7-8,10-11,13H2/b17-12-
InChIKey
MMXNHQPUXNQFSE-ATVHPVEESA-N
Synonyms

5(furan2yl)2(((1234tetrahydroisoquinolin1ylmethyl)amino)methylidene)cyclohexane13dione
MFCD03766769
O=C1CC(CC(=O)C1=CNCC1NCCc2c1cccc2)c1ccco1
ZINC000100130334
ZINC000100130337

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Available files

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