Vitas-M small molecule compound
methyl {[7-tert-butyl-3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Catalog ID
STK749173
SMILES COC(=O)CSc1nc2CC(CCc2c(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 C21H24N2O2S2 MW 400.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O2S2/c1-21(2,3)13-7-8-14-16(10-13)23-20(27-12-18(24)25-4)15(11-22)19(14)17-6-5-9-26-17/h5-6,9,13H,7-8,10,12H2,1-4H3InChIKey
DEQCKRPLMSUCBS-UHFFFAOYSA-NSynonyms
339583-87-8339583878
CC(C)(C)C1CCC2=C(C1)N=C(C(=C2C3=CC=CS3)C#N)SCC(=O)OC
InChI=1SC21H24N2O2S2c121(23)13781416(1013)2320(271218(24)254)15(1122)19(14)176592617h56913H781012H214H3
methyl((7tertbutyl3cyano4(thiophen2yl)5678tetrahydroquinolin2yl)sulfanyl)acetate
methyl2((7(tertbutyl)3cyano4(thiophen2yl)5678tetrahydroquinolin2yl)thio)acetate
methyl2((7tertbutyl3cyano4thiophen2yl5678tetrahydroquinolin2yl)sulfanyl)acetate
MFCD00744623
ZINC000000756946
ZINC000000756947
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