Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK096340
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OCC)O)C(=O)CC(C2)(C)C
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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 C25H32ClNO5S MW 494.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32ClNO5S/c1-6-31-19-11-15(10-16(26)23(19)29)21-20(24(30)32-8-9-33-7-2)14(3)27-17-12-25(4,5)13-18(28)22(17)21/h10-11,21,27,29H,6-9,12-13H2,1-5H3InChIKey
BBJBEHMLRJWLDJ-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(3chloro5ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3chloro5ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)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)(C)C
InChI=1SC25H32ClNO5Sc1631191115(1016(26)23(19)29)2120(24(30)32893372)14(3)27171225(45)1318(28)22(17)21h1011212729H691213H215H3
MFCD02375928
STK096340
ZINC000010013460
ZINC000010013461
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