Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(4-bromophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK035202
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Br)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 C28H30BrNO4S MW 556.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO4S/c1-4-35-14-13-34-28(32)25-17(2)30-23-15-20(18-7-11-22(33-3)12-8-18)16-24(31)27(23)26(25)19-5-9-21(29)10-6-19/h5-12,20,26,30H,4,13-16H2,1-3H3InChIKey
MJSZSJQPURWNNM-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(4bromophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4bromophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)c1ccc(cc1)OC
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)Br)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
InChI=1SC28H30BrNO4Sc143514133428(32)2517(2)30231520(1871122(333)12818)1624(31)27(23)26(25)195921(29)10619h512202630H41316H213H3
MFCD02632881
STK035202
ZINC000100691259
ZINC000100691265
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