Vitas-M small molecule compound

2-oxo-3-(3-oxo-1-phenylpentyl)-2H-chromen-4-olate

Catalog ID
STK367943
SMILES CCC(=O)CC(c1c(=O)oc2c(c1[O-])cccc2)c1ccccc1

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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 C20H17O4 MW 321.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18O4/c1-2-14(21)12-16(13-8-4-3-5-9-13)18-19(22)15-10-6-7-11-17(15)24-20(18)23/h3-11,16,22H,2,12H2,1H3/p-1
InChIKey
RASSCOORIKAIIR-UHFFFAOYSA-M
Synonyms

2oxo3(3oxo1phenylpentyl)2Hchromen4olate
CCC(=O)CC(c1c(=O)oc2c(c1(O))cccc2)c1ccccc1
CCC(=O)CC(c1c(=O)oc2c(c1(O))cccc2)c1ccccc1(Na+)
MFCD00382433
sodium2oxo3(3oxo1phenylpentyl)2Hchromen4olate
ZINC000005768082
ZINC000005768088

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Available files

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