Vitas-M small molecule compound

methyl N-{[1-oxo-2-(pyridin-2-yl)-1,2-dihydroisoquinolin-4-yl]carbonyl}-L-methioninate

Catalog ID
STL544644
SMILES CSCC[C@@H](C(=O)OC)NC(=O)c1cn(c2ccccn2)c(=O)c2c1cccc2

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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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-28-21(27)17(10-12-29-2)23-19(25)16-13-24(18-9-5-6-11-22-18)20(26)15-8-4-3-7-14(15)16/h3-9,11,13,17H,10,12H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKey
JJMFTNSMJIWKFJ-KRWDZBQOSA-N
Synonyms
1630916-60-7
(S)methyl4(methylthio)2(1oxo2(pyridin2yl)12dihydroisoquinoline4carboxamido)butanoate
1630916607
91637863
CSCC(C@@H)(C(=O)OC)NC(=O)c1cn(c2ccccn2)c(=O)c2c1cccc2
InChI=1SC21H21N3O4Sc12821(27)17(1012292)2319(25)161324(18956112218)20(26)15843714(15)16h39111317H1012H212H3(H2325)t17m0s1
methyl(2~(S))4methylsulfanyl2((1oxo2pyridin2ylisoquinoline4carbonyl)amino)butanoate
methylN((1oxo2(pyridin2yl)12dihydroisoquinolin4yl)carbonyl)Lmethioninate
ZINC000217811921
ZINC217811921

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Available files

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