Vitas-M small molecule compound

2-{[3-(4-tert-butylphenyl)-3-oxopropyl]sulfanyl}-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK826726
SMILES N#CC1=C(SCCC(=O)c2ccc(cc2)C(C)(C)C)NC2=C(C1c1ccco1)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 C27H28N2O3S MW 460.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O3S/c1-27(2,3)18-11-9-17(10-12-18)21(30)13-15-33-26-19(16-28)24(23-8-5-14-32-23)25-20(29-26)6-4-7-22(25)31/h5,8-12,14,24,29H,4,6-7,13,15H2,1-3H3
InChIKey
ZPTQHCPLEOELPC-UHFFFAOYSA-N
Synonyms

2((3(4tertbutylphenyl)3oxopropyl)sulfanyl)4(furan2yl)5oxo145678hexahydroquinoline3carbonitrile
2(3(4tertbutylphenyl)3oxopropyl)sulfanyl4(furan2yl)5oxo4678tetrahydro1Hquinoline3carbonitrile
CC(C)(C)C1=CC=C(C=C1)C(=O)CCSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CO4)C#N
InChI=1SC27H28N2O3Sc127(23)1811917(101218)21(30)1315332619(1628)24(2385143223)2520(2926)64722(25)31h5812142429H4671315H213H3
MFCD10086677
ZINC000020347910
ZINC000020347912

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Available files

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