Vitas-M small molecule compound

5-hydroxy-4-methyl-7-pentyl-2H-chromen-2-one

Catalog ID
STK870426
SMILES CCCCCc1cc(O)c2c(c1)oc(=O)cc2C

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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 C15H18O3 MW 246.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18O3/c1-3-4-5-6-11-8-12(16)15-10(2)7-14(17)18-13(15)9-11/h7-9,16H,3-6H2,1-2H3
InChIKey
JNQRCHFZDNUMRU-UHFFFAOYSA-N
Synonyms
60796-43-2
4METHYL5OXIDANYL7PENTYLCHROMEN2ONE
5HYDROXY4METHYL7PENTYL1BENZOPYRAN2ONE
5hydroxy4methyl7pentyl2Hchromen2one
5HYDROXY4METHYL7PENTYLCHROMEN2ONE
60796432
7AMYL5HYDROXY4METHYLCOUMARIN
CCCCCC1=CC2=C(C(=CC(=O)O2)C)C(=C1)O
InChI=1SC15H18O3c1345611812(16)1510(2)714(17)1813(15)911h7916H36H212H3
MFCD00450974
ZINC000005826127
ZINC05826127
ZINC5826127

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Available files

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