Vitas-M small molecule compound

3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK407468
SMILES CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)C(C(C2)C)C(=O)OC)C(=O)OCCSCC

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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 C28H35NO8S MW 545.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35NO8S/c1-7-35-21-14-18(9-10-20(21)37-17(5)30)24-23(28(33)36-11-12-38-8-2)16(4)29-19-13-15(3)22(27(32)34-6)26(31)25(19)24/h9-10,14-15,22,24,29H,7-8,11-13H2,1-6H3
InChIKey
GETZHHMQCZEPCL-UHFFFAOYSA-N
Synonyms

3(2(ethylsulfanyl)ethyl)6methyl4(4(acetyloxy)3ethoxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl4(4acetyloxy3ethoxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OCCSCC)C)OC(=O)C
InChI=1SC28H35NO8Sc1735211418(91020(21)3717(5)30)2423(28(33)3611123882)16(4)29191315(3)22(27(32)346)26(31)25(19)24h9101415222429H781113H216H3
MFCD04057117
ZINC000097939658
ZINC000169692369

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Available files

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