Vitas-M small molecule compound

2-(ethylsulfanyl)ethyl 4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363595
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)F)C(=O)CC(C2)(C)C

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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 C23H28FNO3S MW 417.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28FNO3S/c1-5-29-11-10-28-22(27)19-14(2)25-17-12-23(3,4)13-18(26)21(17)20(19)15-6-8-16(24)9-7-15/h6-9,20,25H,5,10-13H2,1-4H3
InChIKey
FFHCUKVODUYMKB-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)ethyl4(4fluorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4fluorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)F)C(=O)CC(C2)(C)C)C
InChI=1SC23H28FNO3Sc152911102822(27)1914(2)25171223(34)1318(26)21(17)20(19)156816(24)9715h692025H51013H214H3
MFCD01445696
ZINC000019855356
ZINC000019855358

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Available files

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