Vitas-M small molecule compound

(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-7-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3(2H)-one

Catalog ID
STK992671
SMILES Brc1cc(/C=C/2\Oc3c(C2=O)ccc(c3CN2CCCCC2C)O)c2c(c1)COCO2

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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 C24H24BrNO5 MW 486.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24BrNO5/c1-14-4-2-3-7-26(14)11-19-20(27)6-5-18-22(28)21(31-24(18)19)10-15-8-17(25)9-16-12-29-13-30-23(15)16/h5-6,8-10,14,27H,2-4,7,11-13H2,1H3/b21-10-
InChIKey
GIJKNETWGHIMNQ-FBHDLOMBSA-N
Synonyms
929433-78-3
(2Z)2((6bromo4H13benzodioxin8yl)methylidene)6hydroxy7((2methylpiperidin1yl)methyl)1benzofuran3(2H)one
(2Z)2((6bromo4H13benzodioxin8yl)methylidene)7((2methylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
(Z)2((6bromo4Hbenzo(d)(13)dioxin8yl)methylene)6hydroxy7((2methylpiperidin1yl)methyl)benzofuran3(2H)one
929433783
Brc1cc(C=C2Oc3c(C2=O)ccc(c3CN2CCCCC2C)O)c2c(c1)COCO2
CC1CCCC(NH+)1CC2=C(C=CC3=C2OC(=CC4=CC(=CC5=C4OCOC5)Br)C3=O)(O)
InChI=1SC24H24BrNO5c114423726(14)111920(27)651822(28)21(3124(18)19)1015817(25)9161229133023(15)16h568101427H2471113H21H3b2110

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Available files

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