Vitas-M small molecule compound

1-{2-hydroxy-3-[(1Z)-2-hydroxy-3,3-dimethylbut-1-en-1-yl]-2H-1,4-benzoxazin-2-yl}-3,3-dimethylbutan-2-one

Catalog ID
STK679376
SMILES O=C(C(C)(C)C)CC1(O)Oc2ccccc2N=C1/C=C(/C(C)(C)C)\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 C20H27NO4 MW 345.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO4/c1-18(2,3)16(22)11-15-20(24,12-17(23)19(4,5)6)25-14-10-8-7-9-13(14)21-15/h7-11,22,24H,12H2,1-6H3/b16-11-
InChIKey
CGQTWEVSBYOEHG-WJDWOHSUSA-N
Synonyms

1(2hydroxy3((1Z)2hydroxy33dimethylbut1en1yl)2H14benzoxazin2yl)33dimethylbutan2one
MFCD03409343
O=C(C(C)(C)C)CC1(O)Oc2ccccc2N=C1C=C(C(C)(C)C)O
ZINC000100122018
ZINC000100122021

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Available files

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