Vitas-M small molecule compound

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

Catalog ID
STK033518
SMILES COC(=O)C1=C(C)NC2=C(C1c1c(F)cccc1Cl)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 C18H17ClFNO3 MW 349.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClFNO3/c1-9-14(18(23)24-2)17(15-10(19)5-3-6-11(15)20)16-12(21-9)7-4-8-13(16)22/h3,5-6,17,21H,4,7-8H2,1-2H3
InChIKey
BCVHLICDPLGCEO-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=CC=C3Cl)F)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1c(F)cccc1Cl)C(=O)CCC2
InChI=1SC18H17ClFNO3c1914(18(23)242)17(1510(19)53611(15)20)1612(219)74813(16)22h3561721H478H212H3
methyl4(2chloro6fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(2chloro6fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01655493
STK033518
ZINC000019788303
ZINC000019788305

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Available files

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