Vitas-M small molecule compound
3-ethyl 6-methyl 2,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407467
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=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 C22H24N2O7 MW 428.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O7/c1-5-31-22(27)17-12(3)23-15-10-11(2)16(21(26)30-4)20(25)19(15)18(17)13-6-8-14(9-7-13)24(28)29/h6-9,11,16,18,23H,5,10H2,1-4H3InChIKey
DTYKYOVCJZYUAE-UHFFFAOYSA-NSynonyms
3ethyl6methyl27dimethyl4(4nitrophenyl)5oxo145678hexahydroquinoline36dicarboxylate
3Oethyl6Omethyl27dimethyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC22H24N2O7c153122(27)1712(3)23151011(2)16(21(26)304)20(25)19(15)18(17)136814(9713)24(28)29h6911161823H510H214H3
MFCD04057116
ZINC000003631459
ZINC000033834203
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