Vitas-M small molecule compound

4-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)oxy]methyl}benzoic acid

Catalog ID
STL457759
SMILES Cc1cc(OCc2ccc(cc2)C(=O)O)c2c(c1)oc(=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 C22H20O5 MW 364.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20O5/c1-13-10-18(26-12-14-6-8-15(9-7-14)21(23)24)20-16-4-2-3-5-17(16)22(25)27-19(20)11-13/h6-11H,2-5,12H2,1H3,(H,23,24)
InChIKey
DIQWHKHXYFHASL-UHFFFAOYSA-N
Synonyms
314744-62-2
314744622
4(((3methyl6oxo78910tetrahydro6Hbenzo(c)chromen1yl)oxy)methyl)benzoicacid
4((3methyl6oxo78910tetrahydrobenzo(c)chromen1yl)oxymethyl)benzoicacid
CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC4=CC=C(C=C4)C(=O)O
InChI=1SC22H20O5c1131018(2612146815(9714)21(23)24)2016423517(16)22(25)2719(20)1113h611H2512H21H3(H2324)
MFCD02058221
ZINC000004027944
ZINC4027944

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Available files

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