Vitas-M small molecule compound

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

Catalog ID
STK046484
SMILES CCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C#N

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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 C26H25ClN2O3 MW 448.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O3/c1-4-32-23-10-7-17(13-24(23)31-3)25-20(14-28)15(2)29-21-11-18(12-22(30)26(21)25)16-5-8-19(27)9-6-16/h5-10,13,18,25,29H,4,11-12H2,1-3H3
InChIKey
JWNJZGYKYFQTBK-UHFFFAOYSA-N
Synonyms

7(4chlorophenyl)4(4ethoxy3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carbonitrile
7(4chlorophenyl)4(4ethoxy3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carbonitrile
CCOC1=C(C=C(C=C1)C2C(=C(NC3=C2C(=O)CC(C3)C4=CC=C(C=C4)Cl)C)C#N)OC
CCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C#N
InChI=1SC26H25ClN2O3c14322310717(1324(23)313)2520(1428)15(2)29211118(1222(30)26(21)25)165819(27)9616h51013182529H41112H213H3
MFCD01445635
STK046484
ZINC000019648232
ZINC000019648240

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Available files

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