Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3,4-difluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK701213
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)F)F)C(=O)CCC2
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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 C21H23F2NO3S MW 407.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F2NO3S/c1-3-28-10-9-27-21(26)18-12(2)24-16-5-4-6-17(25)20(16)19(18)13-7-8-14(22)15(23)11-13/h7-8,11,19,24H,3-6,9-10H2,1-2H3InChIKey
HGFAJJZBTMFLHG-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(34difluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(34difluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)F)F)C(=O)CCC2)C
InChI=1SC21H23F2NO3Sc13281092721(26)1812(2)241654617(25)20(16)19(18)137814(22)15(23)1113h78111924H36910H212H3
MFCD02188008
ZINC000002190435
ZINC000002190436
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