Vitas-M small molecule compound

3-hexyl-7-[(2-methoxybenzyl)oxy]-4,8-dimethyl-2H-chromen-2-one

Catalog ID
STK626957
SMILES CCCCCCc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccccc1OC

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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 C25H30O4 MW 394.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30O4/c1-5-6-7-8-12-21-17(2)20-14-15-22(18(3)24(20)29-25(21)26)28-16-19-11-9-10-13-23(19)27-4/h9-11,13-15H,5-8,12,16H2,1-4H3
InChIKey
IOVVUGQNBSDWTA-UHFFFAOYSA-N
Synonyms
374764-39-3
374764393
3hexyl7((2methoxybenzyl)oxy)48dimethyl2Hchromen2one
3HEXYL7((2METHOXYPHENYL)METHOXY)48DIMETHYLCHROMEN2ONE
CCCCCCC1=C(C2=C(C(=C(C=C2)OCC3=CC=CC=C3OC)C)OC1=O)C
InChI=1SC25H30O4c15678122117(2)20141522(18(3)24(20)2925(21)26)281619119101323(19)274h9111315H581216H214H3
MFCD02184510
ZINC000002350261
ZINC02350261
ZINC2350261

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Available files

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