Vitas-M small molecule compound
butan-2-yl 4-(3-chlorophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK012501
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Cl)C(=O)CC(C2)c1ccc(cc1)Cl)C
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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 C27H27Cl2NO3 MW 484.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27Cl2NO3/c1-4-15(2)33-27(32)24-16(3)30-22-13-19(17-8-10-20(28)11-9-17)14-23(31)26(22)25(24)18-6-5-7-21(29)12-18/h5-12,15,19,25,30H,4,13-14H2,1-3H3InChIKey
RYCXKTQRCATCCL-UHFFFAOYSA-NSynonyms
butan2yl4(3chlorophenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl4(3chlorophenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Cl)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Cl)C(=O)CC(C2)c1ccc(cc1)Cl)C
InChI=1SC27H27Cl2NO3c1415(2)3327(32)2416(3)30221319(1781020(28)11917)1423(31)26(22)25(24)1865721(29)1218h51215192530H41314H213H3
MFCD01471056
STK012501
ZINC000002925538
ZINC000035973807
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