Vitas-M small molecule compound

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

Catalog ID
STK403105
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)Br)F)C(=O)OC(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 C27H27BrFNO4 MW 528.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrFNO4/c1-14(2)34-27(32)24-15(3)30-21-12-17(18-7-5-6-8-23(18)33-4)13-22(31)26(21)25(24)16-9-10-20(29)19(28)11-16/h5-11,14,17,25,30H,12-13H2,1-4H3
InChIKey
TUYJBCITLACRKX-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=C(C=C4)F)Br)C(=O)OC(C)C
InChI=1SC27H27BrFNO4c114(2)3427(32)2415(3)30211217(18756823(18)334)1322(31)26(21)25(24)1691020(29)19(28)1116h51114172530H1213H214H3
MFCD03371086
propan2yl4(3bromo4fluorophenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3bromo4fluorophenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000001438844
ZINC000001438847

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Available files

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