Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK020886
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Cl)c(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 C30H34ClNO6S MW 572.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34ClNO6S/c1-5-37-25-16-20(13-22(31)29(25)34)27-26(30(35)38-11-12-39-6-2)17(3)32-23-14-19(15-24(33)28(23)27)18-7-9-21(36-4)10-8-18/h7-10,13,16,19,27,32,34H,5-6,11-12,14-15H2,1-4H3InChIKey
OBBARAORXXPLLL-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(3chloro5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3chloro5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OCCSCC)C)Cl)O
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OCC)O)C(=O)CC(C2)c1ccc(cc1)OC
InChI=1SC30H34ClNO6Sc1537251620(1322(31)29(25)34)2726(30(35)3811123962)17(3)32231419(1524(33)28(23)27)187921(364)10818h710131619273234H5611121415H214H3
MFCD02632896
STK020886
ZINC000100691557
ZINC000100691570
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