Vitas-M small molecule compound

2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK402883
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CC(C2)c1cccs1

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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 C26H26F3NO3S2 MW 521.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26F3NO3S2/c1-3-34-12-10-33-25(32)22-15(2)30-19-13-17(21-5-4-11-35-21)14-20(31)24(19)23(22)16-6-8-18(9-7-16)26(27,28)29/h4-9,11,17,23,30H,3,10,12-14H2,1-2H3
InChIKey
QUWGOVYSMZXZNC-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)ethyl2methyl5oxo7(thiophen2yl)4(4(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl2methyl5oxo7thiophen2yl4(4(trifluoromethyl)phenyl)4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(F)(F)F)C(=O)CC(C2)C4=CC=CS4)C
InChI=1SC26H26F3NO3S2c133412103325(32)2215(2)30191317(2154113521)1420(31)24(19)23(22)166818(9716)26(2728)29h4911172330H3101214H212H3
MFCD03133696
ZINC000002190947
ZINC000002190950

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Available files

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