Vitas-M small molecule compound

(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetic acid

Catalog ID
STK713388
SMILES OC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C

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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 C18H18O5 MW 314.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18O5/c1-9-10-5-12-13(18(2,3)4)8-22-14(12)7-15(10)23-17(21)11(9)6-16(19)20/h5,7-8H,6H2,1-4H3,(H,19,20)
InChIKey
BTIOCSFNKDFWPF-UHFFFAOYSA-N
Synonyms
664366-05-6
(3tertbutyl5methyl7oxo7Hfuro(32g)chromen6yl)aceticacid
(3TERTBUTYL5METHYL7OXOFURO(32G)CHROMEN6YL)ACETICACID
2(3(tertbutyl)5methyl7oxo7Hfuro(32g)chromen6yl)aceticacid
2(3TERTBUTYL5METHYL7OXOFURO(32G)CHROMEN6YL)ACETICACID
664366056
CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CC(=O)O
InChI=1SC18H18O5c191051213(18(23)4)82214(12)715(10)2317(21)11(9)616(19)20h578H6H214H3(H1920)
MFCD03851427
ZINC000005235542
ZINC5235542

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Available files

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