Vitas-M small molecule compound
2-[(5-chloro-2,4-dimethoxyphenyl)amino]-2-oxoethyl isoquinoline-1-carboxylate
Catalog ID
STL186990
SMILES COc1cc(OC)c(cc1NC(=O)COC(=O)c1nccc2c1cccc2)Cl
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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 C20H17ClN2O5 MW 400.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O5/c1-26-16-10-17(27-2)15(9-14(16)21)23-18(24)11-28-20(25)19-13-6-4-3-5-12(13)7-8-22-19/h3-10H,11H2,1-2H3,(H,23,24)InChIKey
IKEKPNLDNGTCBZ-UHFFFAOYSA-NSynonyms
(2(5chloro24dimethoxyanilino)2oxoethyl)isoquinoline1carboxylate
2((5chloro24dimethoxyphenyl)amino)2oxoethylisoquinoline1carboxylate
COC1=CC(=C(C=C1NC(=O)COC(=O)C2=NC=CC3=CC=CC=C32)Cl)OC
InChI=1SC20H17ClN2O5c126161017(272)15(914(16)21)2318(24)112820(25)1913643512(13)782219h310H11H212H3(H2324)
MFCD22387997
ZINC000064875823
ZINC64875823
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