Vitas-M small molecule compound
ethyl {[6-tert-butyl-3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Catalog ID
STK531044
SMILES CCOC(=O)CSc1nc2CCC(Cc2c(c1C#N)c1cccs1)C(C)(C)C
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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 C22H26N2O2S2 MW 414.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O2S2/c1-5-26-19(25)13-28-21-16(12-23)20(18-7-6-10-27-18)15-11-14(22(2,3)4)8-9-17(15)24-21/h6-7,10,14H,5,8-9,11,13H2,1-4H3InChIKey
JIQQZJDVBCLZBX-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NC2=C(CC(CC2)C(C)(C)C)C(=C1C#N)C3=CC=CS3
ethyl((6tertbutyl3cyano4(thiophen2yl)5678tetrahydroquinolin2yl)sulfanyl)acetate
ethyl2((6(tertbutyl)3cyano4(thiophen2yl)5678tetrahydroquinolin2yl)thio)acetate
ethyl2((6tertbutyl3cyano4thiophen2yl5678tetrahydroquinolin2yl)sulfanyl)acetate
InChI=1SC22H26N2O2S2c152619(25)13282116(1223)20(1876102718)151114(22(23)4)8917(15)2421h671014H5891113H214H3
MFCD01789270
ZINC000002299305
ZINC000002299306
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