Vitas-M small molecule compound

methyl 4-{[(2-cyclopropyl-1-oxo-1,2-dihydroisoquinolin-4-yl)carbonyl]amino}benzoate

Catalog ID
STL352223
SMILES COC(=O)c1ccc(cc1)NC(=O)c1cn(C2CC2)c(=O)c2c1cccc2

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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 C21H18N2O4 MW 362.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O4/c1-27-21(26)13-6-8-14(9-7-13)22-19(24)18-12-23(15-10-11-15)20(25)17-5-3-2-4-16(17)18/h2-9,12,15H,10-11H2,1H3,(H,22,24)
InChIKey
GFUHIHZONAUTIM-UHFFFAOYSA-N
Synonyms
1324085-22-4
1324085224
COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4CC4
InChI=1SC21H18N2O4c12721(26)136814(9713)2219(24)181223(15101115)20(25)17532416(17)18h291215H1011H21H3(H2224)
methyl4(((2cyclopropyl1oxo12dihydroisoquinolin4yl)carbonyl)amino)benzoate
methyl4((2cyclopropyl1oxoisoquinoline4carbonyl)amino)benzoate
methyl4(2cyclopropyl1oxo12dihydroisoquinoline4carboxamido)benzoate
MFCD19713111
ZINC000071288526
ZINC71288526

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Available files

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