Vitas-M small molecule compound
2-{[2-(ethoxycarbonyl)phenyl]amino}-2-oxoethyl isoquinoline-1-carboxylate
Catalog ID
STL186975
SMILES CCOC(=O)c1ccccc1NC(=O)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 C21H18N2O5 MW 378.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5/c1-2-27-20(25)16-9-5-6-10-17(16)23-18(24)13-28-21(26)19-15-8-4-3-7-14(15)11-12-22-19/h3-12H,2,13H2,1H3,(H,23,24)InChIKey
RBMTYMRIQMUFDA-UHFFFAOYSA-NSynonyms
(2(2ethoxycarbonylanilino)2oxoethyl)isoquinoline1carboxylate
2((2(ethoxycarbonyl)phenyl)amino)2oxoethylisoquinoline1carboxylate
CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=NC=CC3=CC=CC=C32
InChI=1SC21H18N2O5c122720(25)169561017(16)2318(24)132821(26)1915843714(15)11122219h312H213H21H3(H2324)
MFCD22387982
ZINC000072330291
ZINC72330291
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