Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK090348
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CCC2
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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 C21H24N2O5S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5S/c1-3-29-11-10-28-21(25)18-13(2)22-16-8-5-9-17(24)20(16)19(18)14-6-4-7-15(12-14)23(26)27/h4,6-7,12,19,22H,3,5,8-11H2,1-2H3InChIKey
JQVMNUCDGRLAOS-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CCC2
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CCC2)C
InChI=1SC21H24N2O5Sc132911102821(25)1813(2)221685917(24)20(16)19(18)1464715(1214)23(26)27h467121922H35811H212H3
MFCD02104529
STK090348
ZINC000002775868
ZINC000019761812
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