Vitas-M small molecule compound
benzyl {[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Catalog ID
STK748820
SMILES N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1c1cccs1)CCCC2
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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 C23H20N2O2S2 MW 420.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O2S2/c24-13-18-22(20-11-6-12-28-20)17-9-4-5-10-19(17)25-23(18)29-15-21(26)27-14-16-7-2-1-3-8-16/h1-3,6-8,11-12H,4-5,9-10,14-15H2InChIKey
ZEEKZKMSAKUJHX-UHFFFAOYSA-NSynonyms
329213-27-6329213276
benzyl((3cyano4(thiophen2yl)5678tetrahydroquinolin2yl)sulfanyl)acetate
benzyl2((3cyano4(thiophen2yl)5678tetrahydroquinolin2yl)thio)acetate
benzyl2((3cyano4thiophen2yl5678tetrahydroquinolin2yl)sulfanyl)acetate
C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)OCC3=CC=CC=C3)C#N)C4=CC=CS4
InChI=1SC23H20N2O2S2c24131822(20116122820)179451019(17)2523(18)291521(26)2714167213816h13681112H459101415H2
MFCD00743912
ZINC000000705944
ZINC00705944
ZINC705944
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