Vitas-M small molecule compound

(7-butoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetic acid

Catalog ID
STL460479
SMILES CCCCOc1ccc2c(c1)oc(=O)c(c2C)CC(=O)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 C16H18O5 MW 290.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18O5/c1-3-4-7-20-11-5-6-12-10(2)13(9-15(17)18)16(19)21-14(12)8-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKey
XFCIHEAOVJYHHY-UHFFFAOYSA-N
Synonyms
858745-65-0
(7butoxy4methyl2oxo2Hchromen3yl)aceticacid
2(7butoxy4methyl2oxo2Hchromen3yl)aceticacid
2(7BUTOXY4METHYL2OXOCHROMEN3YL)ACETICACID
858745650
CCCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)CC(=O)O)C
InChI=1SC16H18O5c13472011561210(2)13(915(17)18)16(19)2114(12)811h568H3479H212H3(H1718)
MFCD03851554
ZINC000002149537
ZINC2149537

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Available files

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