Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(naphthalen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407580
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)cccc3)C(=O)C(C(C2)C)C(=O)OC
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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 C28H31NO5S MW 493.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5S/c1-5-35-13-12-34-28(32)23-17(3)29-21-14-16(2)22(27(31)33-4)26(30)25(21)24(23)20-11-10-18-8-6-7-9-19(18)15-20/h6-11,15-16,22,24,29H,5,12-14H2,1-4H3InChIKey
FZFMJVMXSXMZIG-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl27dimethyl4(naphthalen2yl)5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl27dimethyl4naphthalen2yl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC4=CC=CC=C4C=C3)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC28H31NO5Sc153513123428(32)2317(3)29211416(2)22(27(31)334)26(30)25(21)24(23)20111018867919(18)1520h6111516222429H51214H214H3
MFCD04221600
ZINC000020190715
ZINC000033834449
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