Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402784
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)[N+](=O)[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 C26H28N2O7S2 MW 544.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O7S2/c1-4-36-9-7-35-26(31)22-14(2)27-17-10-15(21-6-5-8-37-21)12-19(29)24(17)23(22)16-11-18(28(32)33)25(30)20(13-16)34-3/h5-6,8,11,13,15,23,27,30H,4,7,9-10,12H2,1-3H3InChIKey
XKQRPVFREGTMQU-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4hydroxy3methoxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)c1cccs1
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)O)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CS4)C
InChI=1SC26H28N2O7S2c1436973526(31)2214(2)27171015(216583721)1219(29)24(17)23(22)161118(28(32)33)25(30)20(1316)343h568111315232730H4791012H213H3
MFCD02868493
ZINC000097939675
ZINC000097939678
Check stock
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