Vitas-M small molecule compound

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

Catalog ID
STL324326
SMILES C=CCC1(C#N)C(=NC2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)(C)C)SC

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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 C22H23BrN2OS MW 443.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN2OS/c1-5-10-22(13-24)19(14-6-8-15(23)9-7-14)18-16(25-20(22)27-4)11-21(2,3)12-17(18)26/h5-9,19H,1,10-12H2,2-4H3
InChIKey
ASKWCVANZBJACO-UHFFFAOYSA-N
Synonyms
330182-31-5
330182315
3allyl4(4bromophenyl)77dimethyl2(methylthio)5oxo345678hexahydroquinoline3carbonitrile
4(4bromophenyl)77dimethyl2(methylsulfanyl)5oxo3(prop2en1yl)345678hexahydroquinoline3carbonitrile
4(4BROMOPHENYL)77DIMETHYL2METHYLSULFANYL5OXO3PROP2ENYL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(C(=N2)SC)(CC=C)C#N)C3=CC=C(C=C3)Br)C(=O)C1)C
InChI=1SC22H23BrN2OSc151022(1324)19(146815(23)9714)1816(2520(22)274)1121(23)1217(18)26h5919H11012H224H3
MFCD00589145
ZINC000000755584
ZINC000000755587

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Available files

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