Vitas-M small molecule compound
ethyl ({3-cyano-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetate
Catalog ID
STK841171
SMILES CCOC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)C(C)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 C23H26N2O3S MW 410.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O3S/c1-4-28-20(27)13-29-23-17(12-24)21(16-10-8-15(9-11-16)14(2)3)22-18(25-23)6-5-7-19(22)26/h8-11,14,21,25H,4-7,13H2,1-3H3InChIKey
GAORTRMTELRWQE-UHFFFAOYSA-NSynonyms
488134-10-7488134107
CCOC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(C)C)C#N
ethyl((3cyano5oxo4(4(propan2yl)phenyl)145678hexahydroquinolin2yl)sulfanyl)acetate
ethyl2((3cyano4(4isopropylphenyl)5oxo145678hexahydroquinolin2yl)thio)acetate
ethyl2((3cyano5oxo4(4propan2ylphenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)acetate
InChI=1SC23H26N2O3Sc142820(27)13292317(1224)21(1610815(91116)14(2)3)2218(2523)65719(22)26h811142125H4713H213H3
MFCD03290071
ZINC000013284567
ZINC000013284568
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