Vitas-M small molecule compound

2-(ethylsulfanyl)ethyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK055549
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1OC)OC)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 C29H33NO5S MW 507.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5S/c1-5-36-15-14-35-29(32)25-18(2)30-22-16-20(19-10-7-6-8-11-19)17-23(31)27(22)26(25)21-12-9-13-24(33-3)28(21)34-4/h6-13,20,26,30H,5,14-17H2,1-4H3
InChIKey
NNIVVZZCNIJWNM-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)ethyl4(23dimethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(23dimethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1OC)OC)C(=O)CC(C2)c1ccccc1
CCSCCOC(=O)C1=C(NC2=C(C1C3=C(C(=CC=C3)OC)OC)C(=O)CC(C2)C4=CC=CC=C4)C
InChI=1SC29H33NO5Sc153615143529(32)2518(2)30221620(19107681119)1723(31)27(22)26(25)211291324(333)28(21)344h613202630H51417H214H3
MFCD01528055
STK055549
ZINC000002757964
ZINC000002757967

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Available files

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