Vitas-M small molecule compound
methyl 4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK956226
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(COc3ccccc3Br)c(cc1C)C)C(=O)CCC2
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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 C27H28BrNO4 MW 510.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrNO4/c1-15-12-16(2)19(13-18(15)14-33-23-11-6-5-8-20(23)28)25-24(27(31)32-4)17(3)29-21-9-7-10-22(30)26(21)25/h5-6,8,11-13,25,29H,7,9-10,14H2,1-4H3InChIKey
OJHNFDYHVJDJHO-UHFFFAOYSA-NSynonyms
438224-39-6438224396
CC1=CC(=C(C=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OC)C)COC4=CC=CC=C4Br)C
InChI=1SC27H28BrNO4c1151216(2)19(1318(15)1433231165820(23)28)2524(27(31)324)17(3)2921971022(30)26(21)25h56811132529H791014H214H3
methyl4(5((2bromophenoxy)methyl)24dimethylphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(5((2bromophenoxy)methyl)24dimethylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03074821
ZINC000008441821
ZINC000008441822
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