Vitas-M small molecule compound
2-[(2-ethyl-6-methylphenyl)amino]-2-oxoethyl isoquinoline-1-carboxylate
Catalog ID
STL186987
SMILES CCc1cccc(c1NC(=O)COC(=O)c1nccc2c1cccc2)C
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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 C21H20N2O3 MW 348.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3/c1-3-15-9-6-7-14(2)19(15)23-18(24)13-26-21(25)20-17-10-5-4-8-16(17)11-12-22-20/h4-12H,3,13H2,1-2H3,(H,23,24)InChIKey
NLABVGHTFVRGQJ-UHFFFAOYSA-NSynonyms
(2(2ethyl6methylanilino)2oxoethyl)isoquinoline1carboxylate
2((2ethyl6methylphenyl)amino)2oxoethylisoquinoline1carboxylate
CCC1=CC=CC(=C1NC(=O)COC(=O)C2=NC=CC3=CC=CC=C32)C
InChI=1SC21H20N2O3c131596714(2)19(15)2318(24)132621(25)20171054816(17)11122220h412H313H212H3(H2324)
MFCD22387994
ZINC000064875650
ZINC64875650
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