Vitas-M small molecule compound

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

Catalog ID
STK051172
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC)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 C27H31NO5S2 MW 513.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO5S2/c1-5-34-12-10-33-27(30)24-16(2)28-19-13-18(23-7-6-11-35-23)14-20(29)26(19)25(24)17-8-9-21(31-3)22(15-17)32-4/h6-9,11,15,18,25,28H,5,10,12-14H2,1-4H3
InChIKey
VGSLZHORLZCVRK-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)ethyl4(34dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(34dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)c1cccs1
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)OC)C(=O)CC(C2)C4=CC=CS4)C
InChI=1SC27H31NO5S2c153412103327(30)2416(2)28191318(2376113523)1420(29)26(19)25(24)178921(313)22(1517)324h691115182528H5101214H214H3
MFCD02627334
STK051172
ZINC000002771903
ZINC000002771906

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Available files

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