Vitas-M small molecule compound
ethyl {[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Catalog ID
STL360978
SMILES CCOC(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(cc1)F
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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 C22H23FN2O3S MW 414.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN2O3S/c1-4-28-18(27)12-29-21-15(11-24)19(13-5-7-14(23)8-6-13)20-16(25-21)9-22(2,3)10-17(20)26/h5-8,19,25H,4,9-10,12H2,1-3H3InChIKey
XXQIITFEJVBKKA-UHFFFAOYSA-NSynonyms
709643-43-6709643436
CCOC(=O)CSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)F)C#N
ethyl((3cyano4(4fluorophenyl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)acetate
ethyl2((3cyano4(4fluorophenyl)77dimethyl5oxo145678hexahydroquinolin2yl)thio)acetate
ethyl2((3cyano4(4fluorophenyl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)acetate
InChI=1SC22H23FN2O3Sc142818(27)12292115(1124)19(135714(23)8613)2016(2521)922(23)1017(20)26h581925H491012H213H3
MFCD01089423
ZINC000013228222
ZINC000013228223
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