Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK096843
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)c1cccs1
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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 C25H26N2O5S2 MW 498.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O5S2/c1-3-33-12-10-32-25(29)22-15(2)26-19-13-17(21-5-4-11-34-21)14-20(28)24(19)23(22)16-6-8-18(9-7-16)27(30)31/h4-9,11,17,23,26H,3,10,12-14H2,1-2H3InChIKey
XJKFCPGVVTYRBV-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl2methyl4(4nitrophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl2methyl4(4nitrophenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1cccs1
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CS4)C
InChI=1SC25H26N2O5S2c133312103225(29)2215(2)26191317(2154113421)1420(28)24(19)23(22)166818(9716)27(30)31h4911172326H3101214H212H3
MFCD02627255
STK096843
ZINC000002727239
ZINC000002727242
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