Vitas-M small molecule compound

methyl 2-methyl-4-{4-[(3-nitrobenzyl)oxy]phenyl}-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate

Catalog ID
STL374224
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCc1cccc(c1)[N+](=O)[O-])C(=O)c1c2cccc1

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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 C28H22N2O6 MW 482.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O6/c1-16-23(28(32)35-2)24(25-26(29-16)21-8-3-4-9-22(21)27(25)31)18-10-12-20(13-11-18)36-15-17-6-5-7-19(14-17)30(33)34/h3-14,24,29H,15H2,1-2H3
InChIKey
DXULIUZREVMSPB-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)OCC5=CC(=CC=C5)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCc1cccc(c1)(N+)(=O)(O))C(=O)c1c2cccc1
InChI=1SC28H22N2O6c11623(28(32)352)24(2526(2916)21834922(21)27(25)31)18101220(131118)36151765719(1417)30(33)34h3142429H15H212H3
methyl2methyl4(4((3nitrobenzyl)oxy)phenyl)5oxo45dihydro1Hindeno(12b)pyridine3carboxylate
METHYL2METHYL4(4((3NITROPHENYL)METHOXY)PHENYL)5OXO14DIHYDROINDENO(12B)PYRIDINE3CARBOXYLATE
MFCD02636390
ZINC000001170670
ZINC000001170671

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Available files

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