Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-2-(ethylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK538206
SMILES CCSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc2c(c1)OCO2
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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 C19H18N2O3S MW 354.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O3S/c1-2-25-19-12(9-20)17(18-13(21-19)4-3-5-14(18)22)11-6-7-15-16(8-11)24-10-23-15/h6-8,17,21H,2-5,10H2,1H3InChIKey
PBSILTQTRGSCDE-UHFFFAOYSA-NSynonyms
370845-01-5370845015
4(13benzodioxol5yl)2(ethylsulfanyl)5oxo145678hexahydroquinoline3carbonitrile
4(13benzodioxol5yl)2ethylsulfanyl5oxo4678tetrahydro1Hquinoline3carbonitrile
4(benzo(d)(13)dioxol5yl)2(ethylthio)5oxo145678hexahydroquinoline3carbonitrile
CCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C#N
InChI=1SC19H18N2O3Sc12251912(920)17(1813(2119)43514(18)22)11671516(811)24102315h681721H2510H21H3
MFCD02999354
ZINC000002309713
ZINC000002309714
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