Vitas-M small molecule compound
methyl 4-{5-[(4-bromophenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK955841
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(COc3ccc(cc3)Br)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)21(13-18(15)14-33-20-10-8-19(28)9-11-20)25-24(27(31)32-4)17(3)29-22-6-5-7-23(30)26(22)25/h8-13,25,29H,5-7,14H2,1-4H3InChIKey
KHQQIGCCYMYFKH-UHFFFAOYSA-NSynonyms
438195-31-4438195314
CC1=CC(=C(C=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OC)C)COC4=CC=C(C=C4)Br)C
InChI=1SC27H28BrNO4c1151216(2)21(1318(15)14332010819(28)91120)2524(27(31)324)17(3)292265723(30)26(22)25h8132529H5714H214H3
methyl4(5((4bromophenoxy)methyl)24dimethylphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(5((4bromophenoxy)methyl)24dimethylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03073828
ZINC000008440836
ZINC000008440842
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