Vitas-M small molecule compound

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

Catalog ID
STK402522
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)F)C(=O)CC(C2)c1ccc(cc1)OC

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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 C27H28FNO4 MW 449.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FNO4/c1-4-12-33-27(31)24-16(2)29-22-14-19(17-8-10-21(32-3)11-9-17)15-23(30)26(22)25(24)18-6-5-7-20(28)13-18/h5-11,13,19,25,29H,4,12,14-15H2,1-3H3
InChIKey
BJAQRJZBQYOTIL-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)F)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
InChI=1SC27H28FNO4c14123327(31)2416(2)29221419(1781021(323)11917)1523(30)26(22)25(24)1865720(28)1318h51113192529H4121415H213H3
MFCD01824423
propyl4(3fluorophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(3fluorophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002776230
ZINC000002776233

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.