Vitas-M small molecule compound
7,7-dimethyl-5-oxo-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Catalog ID
STK885686
SMILES C=CCSc1nc2CC(C)(C)CC(=O)c2cc1C#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 C15H16N2OS MW 272.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2OS/c1-4-5-19-14-10(9-16)6-11-12(17-14)7-15(2,3)8-13(11)18/h4,6H,1,5,7-8H2,2-3H3InChIKey
WKZBRXQOJDLOHD-UHFFFAOYSA-NSynonyms
488814-02-42(allylthio)77dimethyl5oxo5678tetrahydroquinoline3carbonitrile
488814024
77dimethyl5oxo2(prop2en1ylsulfanyl)5678tetrahydroquinoline3carbonitrile
77DIMETHYL5OXO2PROP2ENYLSULFANYL68DIHYDROQUINOLINE3CARBONITRILE
CC1(CC2=C(C=C(C(=N2)SCC=C)C#N)C(=O)C1)C
InChI=1SC15H16N2OSc145191410(916)61112(1714)715(23)813(11)18h46H1578H223H3
MFCD03293725
ZINC000004192412
ZINC04192412
ZINC4192412
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