Vitas-M small molecule compound

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

Catalog ID
STK031357
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1C#N)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 C30H24N2O4 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N2O4/c1-3-35-30(34)25-18(2)32-28-21-12-6-7-13-22(21)29(33)27(28)26(25)23-14-8-9-15-24(23)36-17-20-11-5-4-10-19(20)16-31/h4-15,26,32H,3,17H2,1-2H3
InChIKey
LCFKNTOKDLTIJZ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1C#N)C(=O)c1c2cccc1
CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCC4=CC=CC=C4C#N)C(=O)C5=CC=CC=C52)C
ETHYL4(2((2CYANOBENZYL)OXY)PHENYL)2METHYL5OXO45DIHYDRO1HINDENO(12B)PYRIDINE3CARBOXYLATE
ETHYL4(2((2CYANOPHENYL)METHOXY)PHENYL)2METHYL5OXO14DIHYDROINDENO(12B)PYRIDINE3CARBOXYLATE
InChI=1SC30H24N2O4c133530(34)2518(2)32282112671322(21)29(33)27(28)26(25)2314891524(23)36172011541019(20)1631h4152632H317H212H3
MFCD02734696
STK031357
ZINC000000882735
ZINC000000882738

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Available files

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