Vitas-M small molecule compound

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

Catalog ID
STK378725
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)N(C)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 C29H34N2O3S MW 490.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O3S/c1-5-35-16-15-34-29(33)26-19(2)30-24-17-22(20-9-7-6-8-10-20)18-25(32)28(24)27(26)21-11-13-23(14-12-21)31(3)4/h6-14,22,27,30H,5,15-18H2,1-4H3
InChIKey
SAUFFGPUSLPGEA-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)ethyl4(4(dimethylamino)phenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4(dimethylamino)phenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)N(C)C)C(=O)CC(C2)C4=CC=CC=C4)C
InChI=1SC29H34N2O3Sc153516153429(33)2619(2)30241722(2097681020)1825(32)28(24)27(26)21111323(141221)31(3)4h614222730H51518H214H3
MFCD01824382
ZINC000002927603
ZINC000019880894

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Available files

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