Vitas-M small molecule compound

methyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK087437
SMILES COC(=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 C26H26N2O7 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O7/c1-14-23(26(30)35-4)24(16-6-5-7-18(10-16)28(31)32)25-19(27-14)11-17(12-20(25)29)15-8-9-21(33-2)22(13-15)34-3/h5-10,13,17,24,27H,11-12H2,1-4H3
InChIKey
CHAOEBNJENHQLX-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccc(c(c1)OC)OC
InChI=1SC26H26N2O7c11423(26(30)354)24(1665718(1016)28(31)32)2519(2714)1117(1220(25)29)158921(332)22(1315)343h51013172427H1112H214H3
methyl7(34dimethoxyphenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
methyl7(34dimethoxyphenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02224167
STK087437
ZINC000000863370
ZINC000000863373

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.