Vitas-M small molecule compound

ethyl ({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetate

Catalog ID
STK839333
SMILES CCOC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)OCc1ccccc1

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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 C27H26N2O4S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4S/c1-2-32-24(31)17-34-27-21(15-28)25(26-22(29-27)9-6-10-23(26)30)19-11-13-20(14-12-19)33-16-18-7-4-3-5-8-18/h3-5,7-8,11-14,25,29H,2,6,9-10,16-17H2,1H3
InChIKey
QGJGQKPETYYISB-UHFFFAOYSA-N
Synonyms
369393-06-6
369393066
CCOC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N
ethyl((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)acetate
ethyl2((3cyano5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)acetate
ethyl2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)thio)acetate
InChI=1SC27H26N2O4Sc123224(31)17342721(1528)25(2622(2927)961023(26)30)19111320(141219)3316187435818h357811142529H269101617H21H3
MFCD03000083
ZINC000013174296
ZINC000013174298

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Available files

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