Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(3-hydroxy-4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407429
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)O)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 C25H31NO7S MW 489.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO7S/c1-6-34-10-9-33-25(30)20-14(3)26-16-11-13(2)19(24(29)32-5)23(28)22(16)21(20)15-7-8-18(31-4)17(27)12-15/h7-8,12-13,19,21,26-27H,6,9-11H2,1-5H3InChIKey
NDEIPTGPBLIWOR-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl4(3hydroxy4methoxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl4(3hydroxy4methoxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)O)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC25H31NO7Sc16341093325(30)2014(3)26161113(2)19(24(29)325)23(28)22(16)21(20)157818(314)17(27)1215h78121319212627H6911H215H3
MFCD04057078
ZINC000020190444
ZINC000033804097
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