Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK032058
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)ccc1OC)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 C25H33NO5S MW 459.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO5S/c1-7-32-11-10-31-24(28)21-15(2)26-18-13-25(3,4)14-19(27)23(18)22(21)17-12-16(29-5)8-9-20(17)30-6/h8-9,12,22,26H,7,10-11,13-14H2,1-6H3InChIKey
OPTXYFSINLXJTO-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(25dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(25dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)ccc1OC)C(=O)CC(C2)(C)C
CCSCCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)OC)OC)C(=O)CC(C2)(C)C)C
InChI=1SC25H33NO5Sc173211103124(28)2115(2)26181325(34)1419(27)23(18)22(21)171216(295)8920(17)306h89122226H710111314H216H3
MFCD02375915
STK032058
ZINC000002776422
ZINC000002776423
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