Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407268
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)O)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 C21H25NO4S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4S/c1-3-27-12-11-26-21(25)18-13(2)22-16-5-4-6-17(24)20(16)19(18)14-7-9-15(23)10-8-14/h7-10,19,22-23H,3-6,11-12H2,1-2H3InChIKey
JYPGJLSMGBCXNI-UHFFFAOYSA-NSynonyms
312512-21-32(ethylsulfanyl)ethyl4(4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
312512213
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)O)C(=O)CCC2)C
InChI=1SC21H25NO4Sc132712112621(25)1813(2)221654617(24)20(16)19(18)147915(23)10814h710192223H361112H212H3
MFCD01461902
ZINC000002927338
ZINC000002927341
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