Vitas-M small molecule compound

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

Catalog ID
STK373713
SMILES N#CC1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OC)O)C(=O)CC(C2)(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 C20H21ClN2O3 MW 372.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O3/c1-10-12(9-22)17(11-5-13(21)19(25)16(6-11)26-4)18-14(23-10)7-20(2,3)8-15(18)24/h5-6,17,23,25H,7-8H2,1-4H3
InChIKey
WXLSGQJYNRDTED-UHFFFAOYSA-N
Synonyms

4(3chloro4hydroxy5methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carbonitrile
4(3chloro4hydroxy5methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carbonitrile
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Cl)O)OC)C#N
InChI=1SC20H21ClN2O3c11012(922)17(11513(21)19(25)16(611)264)1814(2310)720(23)815(18)24h56172325H78H214H3
MFCD00816377
ZINC000019760524
ZINC000019760527

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Available files

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