Vitas-M small molecule compound

cyclohexyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK019857
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1Br)C(=O)OC1CCCCC1)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 C31H32BrNO6 MW 594.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32BrNO6/c1-17-28(31(35)39-21-6-4-3-5-7-21)29(22-14-26-27(15-23(22)32)38-16-37-26)30-24(33-17)12-19(13-25(30)34)18-8-10-20(36-2)11-9-18/h8-11,14-15,19,21,29,33H,3-7,12-13,16H2,1-2H3
InChIKey
KBCFUUIYAJMKDO-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4Br)OCO5)C(=O)OC6CCCCC6
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1Br)C(=O)OC1CCCCC1)C
cyclohexyl4(6bromo13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(6bromo13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H32BrNO6c11728(31(35)39216435721)29(22142627(1523(22)32)38163726)3024(3317)1219(1325(30)34)1881020(362)11918h811141519212933H37121316H212H3
MFCD01571937
STK019857
ZINC000002185684
ZINC000002185687

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Available files

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