Vitas-M small molecule compound
2-methylpropyl 4-(2-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363779
SMILES CC(COC(=O)C1=C(C)NC2=C(C1c1ccccc1Br)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 C27H27BrClNO3 MW 528.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrClNO3/c1-15(2)14-33-27(32)24-16(3)30-22-12-18(17-8-10-19(29)11-9-17)13-23(31)26(22)25(24)20-6-4-5-7-21(20)28/h4-11,15,18,25,30H,12-14H2,1-3H3InChIKey
OEKLECLGOFBCOF-UHFFFAOYSA-NSynonyms
2methylpropyl4(2bromophenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl4(2bromophenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4Br)C(=O)OCC(C)C
InChI=1SC27H27BrClNO3c115(2)143327(32)2416(3)30221218(1781019(29)11917)1323(31)26(22)25(24)20645721(20)28h41115182530H1214H213H3
MFCD01823653
ZINC000002775901
ZINC000002775904
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