Vitas-M small molecule compound

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

Catalog ID
STK060645
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)[N+](=O)[O-])C(=O)OC(C)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)29-21-12-19(17-9-10-23(35-4)24(14-17)36-5)13-22(31)27(21)26(25)18-7-6-8-20(11-18)30(33)34/h6-11,14-15,19,26,29H,12-13H2,1-5H3
InChIKey
SUZOOUBBFYUSMJ-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(C)C
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)(N+)(=O)(O))C(=O)OC(C)C)C
InChI=1SC28H30N2O7c115(2)3728(32)2516(3)29211219(1791023(354)24(1417)365)1322(31)27(21)26(25)1876820(1118)30(33)34h6111415192629H1213H215H3
MFCD02224242
propan2yl7(34dimethoxyphenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
propan2yl7(34dimethoxyphenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
STK060645
ZINC000000863466
ZINC000000863469
ZINC00863468

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Available files

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