Vitas-M small molecule compound
ethyl 4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL175729
SMILES CCOC(=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 C28H30BrNO4 MW 524.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO4/c1-5-33-28(32)25-18(4)30-22-10-8-11-23(31)27(22)26(25)20-14-19(16(2)13-17(20)3)15-34-24-12-7-6-9-21(24)29/h6-7,9,12-14,26,30H,5,8,10-11,15H2,1-4H3InChIKey
WXFJVHDTIKUDMZ-UHFFFAOYSA-NSynonyms
438223-08-6438223086
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3C)C)COC4=CC=CC=C4Br)C(=O)CCC2)C
ethyl4(5((2bromophenoxy)methyl)24dimethylphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(5((2bromophenoxy)methyl)24dimethylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H30BrNO4c153328(32)2518(4)30221081123(31)27(22)26(25)201419(16(2)1317(20)3)1534241276921(24)29h67912142630H58101115H214H3
MFCD03074665
ZINC000002111725
ZINC000002111730
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