Vitas-M small molecule compound

7,7-dimethyl-5-oxo-4-phenyl-3-(prop-2-en-1-yl)-2-sulfanyl-3,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK649400
SMILES C=CCC1(C#N)C(=NC2=C(C1c1ccccc1)C(=O)CC(C2)(C)C)S

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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 C21H22N2OS MW 350.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2OS/c1-4-10-21(13-22)18(14-8-6-5-7-9-14)17-15(23-19(21)25)11-20(2,3)12-16(17)24/h4-9,18H,1,10-12H2,2-3H3,(H,23,25)
InChIKey
GTKXLBOZPDTRNC-UHFFFAOYSA-N
Synonyms
132351-32-7
132351327
77dimethyl5oxo4phenyl3(prop2en1yl)2sulfanyl345678hexahydroquinoline3carbonitrile
77dimethyl5oxo4phenyl3prop2enyl2sulfanylidene1468tetrahydroquinoline3carbonitrile
CC1(CC2=C(C(C(C(=S)N2)(CC=C)C#N)C3=CC=CC=C3)C(=O)C1)C
InChI=1SC21H22N2OSc141021(1322)18(148657914)1715(2319(21)25)1120(23)1216(17)24h4918H11012H223H3(H2325)
MFCD18165260
ZINC000100549190
ZINC000100549197

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Available files

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