Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402691
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)ccc1OC)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 C22H26BrNO4S MW 480.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26BrNO4S/c1-4-29-11-10-28-22(26)19-13(2)24-16-6-5-7-17(25)21(16)20(19)15-12-14(23)8-9-18(15)27-3/h8-9,12,20,24H,4-7,10-11H2,1-3H3InChIKey
AWTISMPWJCKFAF-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(5bromo2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(5bromo2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)Br)OC)C(=O)CCC2)C
InChI=1SC22H26BrNO4Sc142911102822(26)1913(2)241665717(25)21(16)20(19)151214(23)8918(15)273h89122024H471011H213H3
MFCD02104469
ZINC000002755374
ZINC000002755375
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