Vitas-M small molecule compound

propan-2-yl 4-(4,5-dimethoxy-2-nitrophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK043406
SMILES COc1cc([N+](=O)[O-])c(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)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 C28H30N2O7 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O7/c1-15(2)37-28(32)25-16(3)29-20-11-18(17-9-7-6-8-10-17)12-22(31)27(20)26(25)19-13-23(35-4)24(36-5)14-21(19)30(33)34/h6-10,13-15,18,26,29H,11-12H2,1-5H3
InChIKey
LVZAHFYTQAIRGT-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4(N+)(=O)(O))OC)OC)C(=O)OC(C)C
COc1cc((N+)(=O)(O))c(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC(C)C
InChI=1SC28H30N2O7c115(2)3728(32)2516(3)29201118(1797681017)1222(31)27(20)26(25)191323(354)24(365)1421(19)30(33)34h6101315182629H1112H215H3
MFCD00785406
propan2yl4(45dimethoxy2nitrophenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
propan2yl4(45dimethoxy2nitrophenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
STK043406
ZINC000019805393
ZINC000019805400

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Available files

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