Vitas-M small molecule compound
ethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK079524
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccc(c(c1)OC)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 C27H28N2O7 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O7/c1-5-36-27(31)24-15(2)28-20-12-18(16-9-10-22(34-3)23(14-16)35-4)13-21(30)26(20)25(24)17-7-6-8-19(11-17)29(32)33/h6-11,14,18,25,28H,5,12-13H2,1-4H3InChIKey
WCYGVCMXEOAWEC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccc(c(c1)OC)OC
CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)C
ethyl7(34dimethoxyphenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ethyl7(34dimethoxyphenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H28N2O7c153627(31)2415(2)28201218(1691022(343)23(1416)354)1321(30)26(20)25(24)1776819(1117)29(32)33h61114182528H51213H214H3
MFCD02224175
STK079524
ZINC000000863384
ZINC000000863387
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