Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402506
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)OC(=O)C)C(=O)CCC2
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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 C25H31NO6S MW 473.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO6S/c1-5-30-21-14-17(10-11-20(21)32-16(4)27)23-22(25(29)31-12-13-33-6-2)15(3)26-18-8-7-9-19(28)24(18)23/h10-11,14,23,26H,5-9,12-13H2,1-4H3InChIKey
VATMUVSCVDLTFT-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(4(acetyloxy)3ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4acetyloxy3ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCCSCC)C)OC(=O)C
InChI=1SC25H31NO6Sc1530211417(101120(21)3216(4)27)2322(25(29)3112133362)15(3)261887919(28)24(18)23h1011142326H591213H214H3
MFCD01823606
ZINC000009010175
ZINC000009010176
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