Vitas-M small molecule compound

tert-butyl {[3-cyano-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate

Catalog ID
STK748775
SMILES N#Cc1c(SCC(=O)OC(C)(C)C)nc2c(c1c1ccc(cc1)C)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 C23H26N2O2S MW 394.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O2S/c1-15-9-11-16(12-10-15)21-17-7-5-6-8-19(17)25-22(18(21)13-24)28-14-20(26)27-23(2,3)4/h9-12H,5-8,14H2,1-4H3
InChIKey
LXDSQDKGAXQJOL-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCC3)SCC(=O)OC(C)(C)C)C#N
InChI=1SC23H26N2O2Sc11591116(121015)2117756819(17)2522(18(21)1324)281420(26)2723(23)4h912H5814H214H3
MFCD00743839
tertbutyl((3cyano4(4methylphenyl)5678tetrahydroquinolin2yl)sulfanyl)acetate
tertbutyl2((3cyano4(4methylphenyl)5678tetrahydroquinolin2yl)sulfanyl)acetate
ZINC000002479568
ZINC02479568
ZINC2479568

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.