Vitas-M small molecule compound

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

Catalog ID
STL521362
SMILES COC(=O)c1ccc(cc1)NC(=O)c1cn(CC(C)C)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 C22H22N2O4 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4/c1-14(2)12-24-13-19(17-6-4-5-7-18(17)21(24)26)20(25)23-16-10-8-15(9-11-16)22(27)28-3/h4-11,13-14H,12H2,1-3H3,(H,23,25)
InChIKey
GYLRWDMTMNJJRK-UHFFFAOYSA-N
Synonyms
1324076-78-9
1324076789
56763619
InChI=1SC22H22N2O4c114(2)12241319(17645718(17)21(24)26)20(25)231610815(91116)22(27)283h4111314H12H213H3(H2325)
methyl4(((2(2methylpropyl)1oxo12dihydroisoquinolin4yl)carbonyl)amino)benzoate
methyl4((2(2methylpropyl)1oxoisoquinoline4carbonyl)amino)benzoate
METHYL4(2ISOBUTYL1OXO12DIHYDROISOQUINOLINE4CARBOXAMIDO)BENZOATE
MFCD19707898
ZINC000070666531
ZINC70666531

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Available files

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