Vitas-M small molecule compound
(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856482
SMILES Brc1cc(/C=C/2\Oc3c(C2=O)ccc(c3C[NH+]2CCCC2)[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 C22H20BrNO5 MW 458.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO5/c23-15-7-13(21-14(8-15)11-27-12-28-21)9-19-20(26)16-3-4-18(25)17(22(16)29-19)10-24-5-1-2-6-24/h3-4,7-9,25H,1-2,5-6,10-12H2/b19-9-InChIKey
ZHIPDQWPXRJNRV-OCKHKDLRSA-NSynonyms
929457-26-1(2Z)2((6bromo4H13benzodioxin8yl)methylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)2((6bromo4H13benzodioxin8yl)methylidene)6hydroxy7(pyrrolidin1ylmethyl)1benzofuran3one
929457261
Brc1cc(C=C2Oc3c(C2=O)ccc(c3C(NH+)2CCCC2)(O))c2c(c1)COCO2
C1CCN(C1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC5=C4OCOC5)Br)C3=O)O
InChI=1SC22H20BrNO5c2315713(2114(815)1127122821)91920(26)163418(25)17(22(16)2919)1024512624h347925H12561012H2b199
MFCD09791303
ZINC000020650790
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