Vitas-M small molecule compound
ethyl 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK032838
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)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 C22H27NO3S MW 385.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO3S/c1-6-26-21(25)18-13(2)23-16-11-22(3,4)12-17(24)20(16)19(18)14-7-9-15(27-5)10-8-14/h7-10,19,23H,6,11-12H2,1-5H3InChIKey
LDUQHKKWQIFHRV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)(C)C
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)SC)C(=O)CC(C2)(C)C)C
ethyl277trimethyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
ethyl277trimethyl4(4methylsulfanylphenyl)5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC22H27NO3Sc162621(25)1813(2)23161122(34)1217(24)20(16)19(18)147915(275)10814h7101923H61112H215H3
MFCD01814405
STK032838
ZINC000000861153
ZINC000000861154
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