Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402521
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)C(=O)CC(C2)c1ccc(cc1)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 C30H35NO6S MW 537.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO6S/c1-5-36-26-17-20(9-12-24(26)32)28-27(30(34)37-13-14-38-6-2)18(3)31-23-15-21(16-25(33)29(23)28)19-7-10-22(35-4)11-8-19/h7-12,17,21,28,31-32H,5-6,13-16H2,1-4H3InChIKey
IWOCRYKSOJBYNE-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(3ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OCCSCC)C)O
InChI=1SC30H35NO6Sc1536261720(91224(26)32)2827(30(34)3713143862)18(3)31231521(1625(33)29(23)28)1971022(354)11819h7121721283132H561316H214H3
MFCD01824412
ZINC000059844659
ZINC000059844666
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