Vitas-M small molecule compound

(2Z)-2-(4-tert-butylbenzylidene)-6-(2-oxopropoxy)-1-benzofuran-3(2H)-one

Catalog ID
STK992478
SMILES CC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)C(C)(C)C)/C2=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 C22H22O4 MW 350.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O4/c1-14(23)13-25-17-9-10-18-19(12-17)26-20(21(18)24)11-15-5-7-16(8-6-15)22(2,3)4/h5-12H,13H2,1-4H3/b20-11-
InChIKey
SETUSHCNGNQNGH-JAIQZWGSSA-N
Synonyms
879807-62-2
(2Z)2((4tertbutylphenyl)methylidene)6(2oxopropoxy)1benzofuran3one
(2Z)2(4tertbutylbenzylidene)6(2oxopropoxy)1benzofuran3(2H)one
(Z)2(4(tertbutyl)benzylidene)6(2oxopropoxy)benzofuran3(2H)one
2((4(TERTBUTYL)PHENYL)METHYLENE)6(2OXOPROPOXY)BENZO(B)FURAN3ONE
879807622
CC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(C=C3)C(C)(C)C)O2
CC(=O)COc1ccc2c(c1)OC(=Cc1ccc(cc1)C(C)(C)C)C2=O
InChI=1SC22H22O4c114(23)1325179101819(1217)2620(21(18)24)11155716(8615)22(23)4h512H13H214H3b2011
MFCD07494762
ZINC000008992526
ZINC08992526
ZINC8992526

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Available files

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