Vitas-M small molecule compound

2-({2-[(2,4-dichlorobenzyl)oxy]naphthalen-1-yl}methylidene)-1H-indene-1,3(2H)-dione

Catalog ID
STK160616
SMILES Clc1ccc(c(c1)Cl)COc1ccc2c(c1/C=C/1\C(=O)c3c(C1=O)cccc3)cccc2

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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 C27H16Cl2O3 MW 459.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H16Cl2O3/c28-18-11-9-17(24(29)13-18)15-32-25-12-10-16-5-1-2-6-19(16)22(25)14-23-26(30)20-7-3-4-8-21(20)27(23)31/h1-14H,15H2
InChIKey
BEWCQZBLLNOCRD-UHFFFAOYSA-N
Synonyms

2((2((24DICHLOROBENZYL)OXY)1NAPHTHYL)METHYLENE)1HINDENE13(2H)DIONE
2((2((24DICHLOROBENZYL)OXY)NAPHTHALEN1YL)METHYLIDENE)1HINDENE13(2H)DIONE
2((2((24DICHLOROPHENYL)METHOXY)NAPHTHALEN1YL)METHYLIDENE)INDENE13DIONE
C1=CC=C2C(=C1)C=CC(=C2C=C3C(=O)C4=CC=CC=C4C3=O)OCC5=C(C=C(C=C5)Cl)Cl
Clc1ccc(c(c1)Cl)COc1ccc2c(c1C=C1C(=O)c3c(C1=O)cccc3)cccc2
InChI=1SC27H16Cl2O3c281811917(24(29)1318)153225121016512619(16)22(25)142326(30)20734821(20)27(23)31h114H15H2
MFCD04494748
ZINC000002122082
ZINC02122082
ZINC2122082

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Available files

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