Vitas-M small molecule compound

2-methylpropyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK407262
SMILES COc1cc(cc(c1O)Br)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OCC(C)C)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 C28H29BrClNO5 MW 574.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29BrClNO5/c1-14(2)13-36-28(34)24-15(3)31-21-10-17(16-5-7-19(30)8-6-16)11-22(32)26(21)25(24)18-9-20(29)27(33)23(12-18)35-4/h5-9,12,14,17,25,31,33H,10-11,13H2,1-4H3
InChIKey
OFLICNMJLQEELX-UHFFFAOYSA-N
Synonyms

2methylpropyl4(3bromo4hydroxy5methoxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methylpropyl4(3bromo4hydroxy5methoxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C(=C4)Br)O)OC)C(=O)OCC(C)C
InChI=1SC28H29BrClNO5c114(2)133628(34)2415(3)31211017(165719(30)8616)1122(32)26(21)25(24)18920(29)27(33)23(1218)354h59121417253133H101113H214H3
MFCD01445723
ZINC000000666942
ZINC000000666952

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Available files

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