Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK364176
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(ccc1Cl)[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 C21H23ClN2O5S MW 450.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN2O5S/c1-3-30-10-9-29-21(26)18-12(2)23-16-5-4-6-17(25)20(16)19(18)14-11-13(24(27)28)7-8-15(14)22/h7-8,11,19,23H,3-6,9-10H2,1-2H3InChIKey
SGVLVMLHLYUVCO-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(2chloro5nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(2chloro5nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(ccc1Cl)(N+)(=O)(O))C(=O)CCC2
CCSCCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C(=O)CCC2)C
InChI=1SC21H23ClN2O5Sc13301092921(26)1812(2)231654617(25)20(16)19(18)141113(24(27)28)7815(14)22h78111923H36910H212H3
MFCD02104385
ZINC000002775558
ZINC000002775559
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