Vitas-M small molecule compound
2-methoxyethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK005447
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1
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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 C26H26N2O6 MW 462.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O6/c1-16-23(26(30)34-13-12-33-2)24(18-8-10-20(11-9-18)28(31)32)25-21(27-16)14-19(15-22(25)29)17-6-4-3-5-7-17/h3-11,19,24,27H,12-15H2,1-2H3InChIKey
OPTMETCSXBNGRK-UHFFFAOYSA-NSynonyms
2methoxyethyl2methyl4(4nitrophenyl)5oxo7phenyl145678hexahydroquinoline3carboxylate
2methoxyethyl2methyl4(4nitrophenyl)5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1
InChI=1SC26H26N2O6c11623(26(30)341312332)24(1881020(11918)28(31)32)2521(2716)1419(1522(25)29)176435717h311192427H1215H212H3
MFCD00771457
STK005447
ZINC000002757801
ZINC000002757804
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