Vitas-M small molecule compound

3-hexyl-7-hydroxy-4-methyl-2H-chromen-2-one

Catalog ID
STK717852
SMILES CCCCCCc1c(=O)oc2c(c1C)ccc(c2)O

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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 C16H20O3 MW 260.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20O3/c1-3-4-5-6-7-14-11(2)13-9-8-12(17)10-15(13)19-16(14)18/h8-10,17H,3-7H2,1-2H3
InChIKey
RCRLOVSDQMDTML-UHFFFAOYSA-N
Synonyms
109565-17-5
109565175
2H1BENZOPYRAN2ONE3HEXYL7HYDROXY4METHYL
3hexyl7hydroxy4methyl2Hchromen2one
3HEXYL7HYDROXY4METHYLCHROMEN2ONE
3NHEXYL7HYDROXY4METHYLCOUMARIN
CCCCCCC1=C(C2=C(C=C(C=C2)O)OC1=O)C
InChI=1SC16H20O3c1345671411(2)139812(17)1015(13)1916(14)18h81017H37H212H3
MFCD02331232
ZINC000003882130
ZINC03882130
ZINC3882130

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Available files

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