Vitas-M small molecule compound
propan-2-yl 4-(3-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402481
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Br)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 C26H25BrClNO3 MW 514.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrClNO3/c1-14(2)32-26(31)23-15(3)29-21-12-18(16-7-9-20(28)10-8-16)13-22(30)25(21)24(23)17-5-4-6-19(27)11-17/h4-11,14,18,24,29H,12-13H2,1-3H3InChIKey
XVMUNAZOEPZHEU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Br)C(=O)OC(C)C
InChI=1SC26H25BrClNO3c114(2)3226(31)2315(3)29211218(167920(28)10816)1322(30)25(21)24(23)1754619(27)1117h41114182429H1213H213H3
MFCD01590125
propan2yl4(3bromophenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3bromophenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002776065
ZINC000002776068
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