Vitas-M small molecule compound

2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK000960
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)C(=O)CC(C2)c1ccc(cc1)Cl

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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 C29H32ClNO5S MW 542.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO5S/c1-4-35-25-16-19(8-11-23(25)32)27-26(29(34)36-12-13-37-5-2)17(3)31-22-14-20(15-24(33)28(22)27)18-6-9-21(30)10-7-18/h6-11,16,20,27,31-32H,4-5,12-15H2,1-3H3
InChIKey
ZUBNLMZFJLOBGU-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)ethyl7(4chlorophenyl)4(3ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl7(4chlorophenyl)4(3ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCCSCC)C)O
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC29H32ClNO5Sc1435251619(81123(25)32)2726(29(34)3612133752)17(3)31221420(1524(33)28(22)27)186921(30)10718h6111620273132H451215H213H3
MFCD01528079
STK000960
ZINC000004068293
ZINC000004068296

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Available files

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