Vitas-M small molecule compound
2-{[4-(4-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Catalog ID
STK725911
SMILES CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)Cl
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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 C26H24ClN3O3S MW 494.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O3S/c1-2-33-19-12-10-18(11-13-19)29-23(32)15-34-26-20(14-28)24(16-6-8-17(27)9-7-16)25-21(30-26)4-3-5-22(25)31/h6-13,24,30H,2-5,15H2,1H3,(H,29,32)InChIKey
IPWIOQBCGTZWOC-UHFFFAOYSA-NSynonyms
309732-12-52((4(4chlorophenyl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)N(4ethoxyphenyl)acetamide
2((4(4chlorophenyl)3cyano5oxo145678hexahydroquinolin2yl)thio)N(4ethoxyphenyl)acetamide
2((4(4chlorophenyl)3cyano5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(4ethoxyphenyl)acetamide
309732125
CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)Cl)C#N
InChI=1SC26H24ClN3O3Sc123319121018(111319)2923(32)15342620(1428)24(166817(27)9716)2521(3026)43522(25)31h6132430H2515H21H3(H2932)
MFCD02110351
ZINC000013055497
ZINC000013055505
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