Vitas-M small molecule compound

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

Catalog ID
STL521192
SMILES COCCn1cc(C(=O)Nc2ccc(cc2)C(=O)OC)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 C21H20N2O5 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5/c1-27-12-11-23-13-18(16-5-3-4-6-17(16)20(23)25)19(24)22-15-9-7-14(8-10-15)21(26)28-2/h3-10,13H,11-12H2,1-2H3,(H,22,24)
InChIKey
MNTHBCUEWSTFAG-UHFFFAOYSA-N
Synonyms
1324069-03-5
1324069035
56763555
InChI=1SC21H20N2O5c1271211231318(16534617(16)20(23)25)19(24)22159714(81015)21(26)282h31013H1112H212H3(H2224)
methyl4(((2(2methoxyethyl)1oxo12dihydroisoquinolin4yl)carbonyl)amino)benzoate
methyl4((2(2methoxyethyl)1oxoisoquinoline4carbonyl)amino)benzoate
METHYL4(2(2METHOXYETHYL)1OXO12DIHYDROISOQUINOLINE4CARBOXAMIDO)BENZOATE
MFCD19707833
ZINC000070666452
ZINC70666452

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Available files

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