Vitas-M small molecule compound
2-[(4-chlorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK895569
SMILES N#CC1=C(SCc2ccc(cc2)Cl)NC2=C(C1c1ccc(cc1)OC)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 C26H25ClN2O2S MW 465.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O2S/c1-26(2)12-21-24(22(30)13-26)23(17-6-10-19(31-3)11-7-17)20(14-28)25(29-21)32-15-16-4-8-18(27)9-5-16/h4-11,23,29H,12-13,15H2,1-3H3InChIKey
KPEKEHNQPMBTEL-UHFFFAOYSA-NSynonyms
370854-37-82((4chlorobenzyl)sulfanyl)4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2((4chlorobenzyl)thio)4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2((4chlorophenyl)methylsulfanyl)4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinoline3carbonitrile
370854378
CC1(CC2=C(C(C(=C(N2)SCC3=CC=C(C=C3)Cl)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C
InChI=1SC26H25ClN2O2Sc126(2)122124(22(30)1326)23(1761019(313)11717)20(1428)25(2921)3215164818(27)9516h4112329H121315H213H3
MFCD02999951
ZINC000009065078
ZINC000009065080
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