Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407433
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)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 C27H29NO7S MW 511.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO7S/c1-5-36-11-10-34-27(32)21-15(3)28-18-12-14(2)20(26(31)33-4)25(30)23(18)22(21)17-13-35-19-9-7-6-8-16(19)24(17)29/h6-9,13-14,20,22,28H,5,10-12H2,1-4H3InChIKey
ARYKETISLVXUSG-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl27dimethyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl27dimethyl5oxo4(4oxochromen3yl)4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=COC4=CC=CC=C4C3=O)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC27H29NO7Sc153611103427(32)2115(3)28181214(2)20(26(31)334)25(30)23(18)22(21)17133519976816(19)24(17)29h691314202228H51012H214H3
MFCD04057082
ZINC000020190928
ZINC000035240913
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