Vitas-M small molecule compound

4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK373715
SMILES N#CC1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OC)O)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 C18H17ClN2O3 MW 344.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN2O3/c1-9-11(8-20)16(17-13(21-9)4-3-5-14(17)22)10-6-12(19)18(23)15(7-10)24-2/h6-7,16,21,23H,3-5H2,1-2H3
InChIKey
MJBYUZYXTBQSST-UHFFFAOYSA-N
Synonyms

4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carbonitrile
4(3chloro4hydroxy5methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carbonitrile
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)Cl)O)OC)C#N
InChI=1SC18H17ClN2O3c1911(820)16(1713(219)43514(17)22)10612(19)18(23)15(710)242h67162123H35H212H3
MFCD00816379
ZINC000019770137
ZINC000019770138

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Available files

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