Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(2-ethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407510
SMILES CCOc1ccccc1C1C(=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 C26H33NO6S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO6S/c1-6-32-19-11-9-8-10-17(19)22-21(26(30)33-12-13-34-7-2)16(4)27-18-14-15(3)20(25(29)31-5)24(28)23(18)22/h8-11,15,20,22,27H,6-7,12-14H2,1-5H3InChIKey
BEBQZTNQSLLUQZ-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl4(2ethoxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl4(2ethoxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC1=CC=CC=C1C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OCCSCC)C
InChI=1SC26H33NO6Sc16321911981017(19)2221(26(30)3312133472)16(4)27181415(3)20(25(29)315)24(28)23(18)22h81115202227H671214H215H3
MFCD04057159
ZINC000009672962
ZINC000102009049
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