Vitas-M small molecule compound
6-methyl 3-propyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404495
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)[N+](=O)[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 C24H28N2O9 MW 488.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O9/c1-6-7-35-24(30)18-12(3)25-14-8-11(2)17(23(29)34-5)22(28)20(14)19(18)13-9-15(26(31)32)21(27)16(10-13)33-4/h9-11,17,19,25,27H,6-8H2,1-5H3InChIKey
HLDSFYHUBHTPNC-UHFFFAOYSA-NSynonyms
6methyl3propyl4(4hydroxy3methoxy5nitrophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
6Omethyl3Opropyl4(4hydroxy3methoxy5nitrophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)(N+)(=O)(O))O)C(=O)C(C(C2)C)C(=O)OC
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)O)(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC24H28N2O9c1673524(30)1812(3)2514811(2)17(23(29)345)22(28)20(14)19(18)13915(26(31)32)21(27)16(1013)334h91117192527H68H215H3
MFCD04226249
ZINC000020561115
ZINC000054992268
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