Vitas-M small molecule compound

2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(4-ethylphenyl)acetamide

Catalog ID
STK886663
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)CC)NC2=C(C1c1ccc(cc1)OCc1ccccc1)C(=O)CCC2

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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 C33H31N3O3S MW 549.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O3S/c1-2-22-11-15-25(16-12-22)35-30(38)21-40-33-27(19-34)31(32-28(36-33)9-6-10-29(32)37)24-13-17-26(18-14-24)39-20-23-7-4-3-5-8-23/h3-5,7-8,11-18,31,36H,2,6,9-10,20-21H2,1H3,(H,35,38)
InChIKey
ZWUMEXSQESJQMP-UHFFFAOYSA-N
Synonyms
369393-32-8
2((3cyano5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)N(4ethylphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)N(4ethylphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)thio)N(4ethylphenyl)acetamide
369393328
CCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N
InChI=1SC33H31N3O3Sc1222111525(161222)3530(38)21403327(1934)31(3228(3633)961029(32)37)24131726(181424)3920237435823h357811183136H269102021H21H3(H3538)
MFCD03000098
ZINC000097951254
ZINC000097951255

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Available files

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