Vitas-M small molecule compound

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

Catalog ID
STK097373
SMILES COc1cc(cc(c1OCc1ccccc1C#N)Cl)C1C(=C(C)NC2=C1C(=O)c1c2cccc1)C(=O)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 C30H23ClN2O5 MW 526.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23ClN2O5/c1-16-24(30(35)37-3)25(26-27(33-16)20-10-6-7-11-21(20)28(26)34)19-12-22(31)29(23(13-19)36-2)38-15-18-9-5-4-8-17(18)14-32/h4-13,25,33H,15H2,1-3H3
InChIKey
HHNBGIMBUORBOC-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)Cl)OCC5=CC=CC=C5C#N)OC)C(=O)OC
COc1cc(cc(c1OCc1ccccc1C#N)Cl)C1C(=C(C)NC2=C1C(=O)c1c2cccc1)C(=O)OC
InChI=1SC30H23ClN2O5c11624(30(35)373)25(2627(3316)2010671121(20)28(26)34)191222(31)29(23(1319)362)381518954817(18)1432h4132533H15H213H3
METHYL4(3CHLORO4((2CYANOBENZYL)OXY)5METHOXYPHENYL)2METHYL5OXO45DIHYDRO1HINDENO(12B)PYRIDINE3CARBOXYLATE
METHYL4(3CHLORO4((2CYANOPHENYL)METHOXY)5METHOXYPHENYL)2METHYL5OXO14DIHYDROINDENO(12B)PYRIDINE3CARBOXYLATE
METHYL4(3CHLORO4((2CYANOPHENYL)METHOXY)5METHOXYPHENYL)2METHYL5OXO14DIHYDROINDENO(32B)PYRIDINE3CARBOXYLATE
MFCD02228787
STK097373
ZINC000000797836
ZINC000000797837

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Available files

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