Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK030944
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OC)C(=O)CC(C2)c1ccccc1
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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 C28H30BrNO4S MW 556.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO4S/c1-4-35-13-12-34-28(32)25-17(2)30-22-15-20(18-8-6-5-7-9-18)16-23(31)27(22)26(25)19-10-11-24(33-3)21(29)14-19/h5-11,14,20,26,30H,4,12-13,15-16H2,1-3H3InChIKey
ANWOKUZHLLLICN-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(3bromo4methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3bromo4methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OC)C(=O)CC(C2)c1ccccc1
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)Br)C(=O)CC(C2)C4=CC=CC=C4)C
InChI=1SC28H30BrNO4Sc143513123428(32)2517(2)30221520(188657918)1623(31)27(22)26(25)19101124(333)21(29)1419h51114202630H412131516H213H3
MFCD02375978
STK030944
ZINC000100690373
ZINC000100690385
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