Vitas-M small molecule compound
benzyl {[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Catalog ID
STK748786
SMILES N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1c1ccc(cc1)Cl)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 C25H21ClN2O2S MW 448.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O2S/c26-19-12-10-18(11-13-19)24-20-8-4-5-9-22(20)28-25(21(24)14-27)31-16-23(29)30-15-17-6-2-1-3-7-17/h1-3,6-7,10-13H,4-5,8-9,15-16H2InChIKey
XDJIPEQCEZPUCS-UHFFFAOYSA-NSynonyms
benzyl((4(4chlorophenyl)3cyano5678tetrahydroquinolin2yl)sulfanyl)acetate
benzyl2((4(4chlorophenyl)3cyano5678tetrahydroquinolin2yl)sulfanyl)acetate
C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)OCC3=CC=CC=C3)C#N)C4=CC=C(C=C4)Cl
InChI=1SC25H21ClN2O2Sc2619121018(111319)2420845922(20)2825(21(24)1427)311623(29)3015176213717h13671013H45891516H2
MFCD00743856
ZINC000008809609
ZINC08809609
ZINC8809609
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