Vitas-M small molecule compound
propan-2-yl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK051891
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC(C)C
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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 C22H26N2O7 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O7/c1-5-30-17-10-13(9-15(21(17)26)24(28)29)19-18(22(27)31-11(2)3)12(4)23-14-7-6-8-16(25)20(14)19/h9-11,19,23,26H,5-8H2,1-4H3InChIKey
IKWRILOFAAQNAW-UHFFFAOYSA-NSynonyms
312698-35-4312698354
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CCCC3=O)NC(=C2C(=O)OC(C)C)C
CCOc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC(C)C
InChI=1SC22H26N2O7c1530171013(915(21(17)26)24(28)29)1918(22(27)3111(2)3)12(4)231476816(25)20(14)19h911192326H58H214H3
MFCD01975535
propan2yl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK051891
ZINC000000674226
ZINC000000674230
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