Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 7-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403423
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)c1ccc(c(c1)OC)OCC
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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 C28H33NO5S2 MW 527.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO5S2/c1-5-33-22-10-9-18(16-23(22)32-4)19-14-20-26(21(30)15-19)27(24-8-7-12-36-24)25(17(3)29-20)28(31)34-11-13-35-6-2/h7-10,12,16,19,27,29H,5-6,11,13-15H2,1-4H3InChIKey
YYKIFUNNIZUUGN-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl7(4ethoxy3methoxyphenyl)2methyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl7(4ethoxy3methoxyphenyl)2methyl5oxo4thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=C(C=C1)C2CC3=C(C(C(=C(N3)C)C(=O)OCCSCC)C4=CC=CS4)C(=O)C2)OC
InChI=1SC28H33NO5S2c15332210918(1623(22)324)19142026(21(30)1519)27(2487123624)25(17(3)2920)28(31)3411133562h7101216192729H56111315H214H3
MFCD03489253
ZINC000009805166
ZINC000009805169
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