Vitas-M small molecule compound
2-[(2,5-dimethylphenyl)amino]-2-oxoethyl isoquinoline-1-carboxylate
Catalog ID
STL186989
SMILES O=C(Nc1cc(C)ccc1C)COC(=O)c1nccc2c1cccc2
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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 C20H18N2O3 MW 334.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O3/c1-13-7-8-14(2)17(11-13)22-18(23)12-25-20(24)19-16-6-4-3-5-15(16)9-10-21-19/h3-11H,12H2,1-2H3,(H,22,23)InChIKey
MQKOROMAAGTHMD-UHFFFAOYSA-NSynonyms
(2(25dimethylanilino)2oxoethyl)isoquinoline1carboxylate
2((25dimethylphenyl)amino)2oxoethylisoquinoline1carboxylate
CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=NC=CC3=CC=CC=C32
InChI=1SC20H18N2O3c1137814(2)17(1113)2218(23)122520(24)1916643515(16)9102119h311H12H212H3(H2223)
MFCD22387996
ZINC000064875203
ZINC64875203
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