Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407481
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)C(C(C2)C)C(=O)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 C24H28N2O7S MW 488.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O7S/c1-5-34-11-10-33-24(29)19-14(3)25-17-12-13(2)18(23(28)32-4)22(27)21(17)20(19)15-6-8-16(9-7-15)26(30)31/h6-9,13,18,20,25H,5,10-12H2,1-4H3InChIKey
LBYIMTCVYKHFHC-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl27dimethyl4(4nitrophenyl)5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl27dimethyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC24H28N2O7Sc153411103324(29)1914(3)25171213(2)18(23(28)324)22(27)21(17)20(19)156816(9715)26(30)31h6913182025H51012H214H3
MFCD04057130
ZINC000020190631
ZINC000035333703
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