Vitas-M small molecule compound

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

Catalog ID
STL464656
SMILES CCCCCCc1c(=O)oc2c(c1C)ccc(c2C)OCc1cccc(c1)OC

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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/c1-5-6-7-8-12-22-17(2)21-13-14-23(18(3)24(21)29-25(22)26)28-16-19-10-9-11-20(15-19)27-4/h9-11,13-15H,5-8,12,16H2,1-4H3
InChIKey
IHVXZMRLJPJYGD-UHFFFAOYSA-N
Synonyms
374766-62-8
374766628
3hexyl7((3methoxybenzyl)oxy)48dimethyl2Hchromen2one
3HEXYL7((3METHOXYPHENYL)METHOXY)48DIMETHYLCHROMEN2ONE
CCCCCCC1=C(C2=C(C(=C(C=C2)OCC3=CC(=CC=C3)OC)C)OC1=O)C
InChI=1SC25H30O4c15678122217(2)21131423(18(3)24(21)2925(22)26)2816191091120(1519)274h9111315H581216H214H3
MFCD02184976
ZINC000002119397
ZINC02119397
ZINC2119397

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Available files

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