Vitas-M small molecule compound

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

Catalog ID
STK069393
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC(=O)C)C(=O)CC(C2)c1ccccc1

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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 C30H33NO6S MW 535.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO6S/c1-5-38-14-13-36-30(34)27-18(2)31-23-15-22(20-9-7-6-8-10-20)16-24(33)29(23)28(27)21-11-12-25(37-19(3)32)26(17-21)35-4/h6-12,17,22,28,31H,5,13-16H2,1-4H3
InChIKey
PDGUIJNDEXYMIW-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)ethyl4(4(acetyloxy)3methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4acetyloxy3methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC(=O)C)C(=O)CC(C2)c1ccccc1
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)CC(C2)C4=CC=CC=C4)C
InChI=1SC30H33NO6Sc153814133630(34)2718(2)31231522(2097681020)1624(33)29(23)28(27)21111225(3719(3)32)26(1721)354h61217222831H51316H214H3
MFCD01590128
STK069393
ZINC000002775356
ZINC000002925369

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Available files

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