Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-bromo-4-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK050132
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OC)C(=O)CC(C2)c1ccc(cc1)OC
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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 C29H32BrNO5S MW 586.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32BrNO5S/c1-5-37-13-12-36-29(33)26-17(2)31-23-15-20(18-6-9-21(34-3)10-7-18)16-24(32)28(23)27(26)19-8-11-25(35-4)22(30)14-19/h6-11,14,20,27,31H,5,12-13,15-16H2,1-4H3InChIKey
AQIAITQBRRILQJ-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(3bromo4methoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3bromo4methoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OC)C(=O)CC(C2)c1ccc(cc1)OC
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)Br)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
InChI=1SC29H32BrNO5Sc153713123629(33)2617(2)31231520(186921(343)10718)1624(32)28(23)27(26)1981125(354)22(30)1419h61114202731H512131516H214H3
MFCD01824428
STK050132
ZINC000002757870
ZINC000002757873
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