Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(2-bromo-4,5-dimethoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK002041
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1Br)OC)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C29H31BrClNO5S MW 620.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31BrClNO5S/c1-5-38-11-10-37-29(34)26-16(2)32-22-12-18(17-6-8-19(31)9-7-17)13-23(33)28(22)27(26)20-14-24(35-3)25(36-4)15-21(20)30/h6-9,14-15,18,27,32H,5,10-13H2,1-4H3InChIKey
WDPILYSGVHPNHE-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(2bromo45dimethoxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(2bromo45dimethoxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1Br)OC)C(=O)CC(C2)c1ccc(cc1)Cl
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3Br)OC)OC)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
InChI=1SC29H31BrClNO5Sc153811103729(34)2616(2)32221218(176819(31)9717)1323(33)28(22)27(26)201424(353)25(364)1521(20)30h691415182732H51013H214H3
MFCD01529758
STK002041
ZINC000033358270
ZINC000033358273
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