Vitas-M small molecule compound
benzyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403035
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCc1ccccc1
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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 C30H28N2O7S MW 560.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O7S/c1-3-38-24-15-20(13-22(29(24)34)32(36)37)27-26(30(35)39-16-18-8-5-4-6-9-18)17(2)31-21-12-19(14-23(33)28(21)27)25-10-7-11-40-25/h4-11,13,15,19,27,31,34H,3,12,14,16H2,1-2H3InChIKey
BPUAFEQTSKMMFP-UHFFFAOYSA-NSynonyms
benzyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
benzyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC5=CC=CC=C5)C
CCOc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCc1ccccc1
InChI=1SC30H28N2O7Sc1338241520(1322(29(24)34)32(36)37)2726(30(35)3916188546918)17(2)31211219(1423(33)28(21)27)25107114025h411131519273134H3121416H212H3
MFCD03371045
ZINC000097939619
ZINC000097939622
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