Vitas-M small molecule compound
6-methyl 3-(2-propoxyethyl) 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404705
SMILES CCCOCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[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 C25H30N2O8 MW 486.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O8/c1-5-9-34-10-11-35-25(30)20-15(3)26-18-12-14(2)19(24(29)33-4)23(28)22(18)21(20)16-7-6-8-17(13-16)27(31)32/h6-8,13-14,19,21,26H,5,9-12H2,1-4H3InChIKey
QCNZUIHJFRXXQC-UHFFFAOYSA-NSynonyms
6methyl3(2propoxyethyl)27dimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline36dicarboxylate
6Omethyl3O(2propoxyethyl)27dimethyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCCOCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC
CCCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC25H30N2O8c1593410113525(30)2015(3)26181214(2)19(24(29)334)23(28)22(18)21(20)1676817(1316)27(31)32h681314192126H5912H214H3
MFCD06193930
ZINC000020561378
ZINC000033834361
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