Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407461
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)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 C26H33NO7S MW 503.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO7S/c1-6-33-19-13-16(8-9-18(19)28)22-21(26(31)34-10-11-35-7-2)15(4)27-17-12-14(3)20(25(30)32-5)24(29)23(17)22/h8-9,13-14,20,22,27-28H,6-7,10-12H2,1-5H3InChIKey
JKEPKARZWJKMED-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl4(3ethoxy4hydroxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl4(3ethoxy4hydroxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OCCSCC)C)O
InChI=1SC26H33NO7Sc1633191316(8918(19)28)2221(26(31)3410113572)15(4)27171214(3)20(25(30)325)24(29)23(17)22h89131420222728H671012H215H3
MFCD04057110
ZINC000009672890
ZINC000102560066
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