Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407432
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1OC)OC)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 C27H35NO8S MW 533.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO8S/c1-8-37-10-9-36-27(31)22-15(3)28-17-11-14(2)21(26(30)35-7)25(29)24(17)23(22)16-12-19(33-5)20(34-6)13-18(16)32-4/h12-14,21,23,28H,8-11H2,1-7H3InChIKey
VNCYSQOIBUCSSL-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl27dimethyl5oxo4(245trimethoxyphenyl)145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl27dimethyl5oxo4(245trimethoxyphenyl)4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3OC)OC)OC)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC27H35NO8Sc18371093627(31)2215(3)28171114(2)21(26(30)357)25(29)24(17)23(22)161219(335)20(346)1318(16)324h1214212328H811H217H3
MFCD04057081
ZINC000020190404
ZINC000033797492
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