Explore 2,5-Dimethoxy-4-ethylthio-β-methyl-β-nitrostyrene | PiHKAL · info

Exploring 2,5-Dimethoxy-4-ethylthio-β-methyl-β-nitrostyrene. To explore a different substance…

Names

ALEPH-2 NS
2,5-Dimethoxy-4-ethylthio-β-methyl-β-nitrostyrene
1-(2,5-Dimethoxy-4-ethylthiophenyl)-2-nitropropene

IUPAC name

1-(Ethylsulfanyl)-2,5-dimethoxy-4-[(1E)-2-nitroprop-1-en-1-yl]benzene

ID 1743 · Formula C₁₃H₁₇NO₄S · Molecular weight 283.343

InChI InChI=1S/C13H17NO4S/c1-5-19-13-8-11(17-3)10(7-12(13)18-4)6-9(2)14(15)16/h6-8H,5H2,1-4H3/b9-6+

InChI Key DITKCIQJJWOZKF-RMKNXTFCSA-N This stereoisomer Any stereoisomer

SMILES CCSc1cc(OC)c(cc1OC)/C=C(/N(=O)=O)\C

ChemSpider 23552973

Gallardo-Godoy, A; Fierro, A; McLean, TH; Castillo, M; Cassels, BK; Reyes-Parada, M; Nichols, DE. Sulfur-substituted α-alkyl phenethylamines as selective and reversible MAOA inhibitors: Biological activities, CoMFA analysis, and active site modeling J. Med. Chem., 1 Jan 2005, 48 (7), 2407–2419. 901 kB. https://doi.org/10.1021/jm0493109 #6b MS,NMR

Rezende, MC; Núñez, C; Sepúlveda-Boza, S; Cassels, BK; Hurtado-Guzmán, C. S-Oxidation products of alkylthioamphetamines Synth. Commun., 1 Jan 2002, 32 (17), 2741–2750. 225 kB. https://doi.org/10.1081/SCC-120006041 #6 NMR,IR

3-Ethoxy-5-ethylthio-4-methoxy-β-nitrostyrene · 3-TSB NS

3-TASB NS · 4-Ethoxy-3-ethylthio-5-methoxy-β-nitrostyrene

2,5-Dimethoxy-4-propylthio-β-nitrostyrene · 2C-T-7 NS

2C-T-4 NS · 4-Isopropylthio-2,5-dimethoxy-β-nitrostyrene

4-Isopropylthio-2,6-dimethoxy-β-nitrostyrene · ψ-2C-T-4 NS

2CT2-5ETO NS · 5-Ethoxy-4-ethylthio-2-methoxy-β-nitrostyrene

2-Ethoxy-5-methoxy-4-ethylthio-β-nitrostyrene · 2CT2-2ETO NS

2,5-Dimethoxy-4-methylthio-β-ethyl-β-nitrostyrene · 4C-T NS

7 Dec 2019 · · Isomer Design