Vitas-M small molecule compound

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(dipropylamino)methyl]-6-hydroxy-1-benzofuran-3(2H)-one

Catalog ID
STK992675
SMILES CCCN(Cc1c(O)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)/C2=O)CCC

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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 C23H25NO5 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5/c1-3-9-24(10-4-2)13-17-18(25)7-6-16-22(26)21(29-23(16)17)12-15-5-8-19-20(11-15)28-14-27-19/h5-8,11-12,25H,3-4,9-10,13-14H2,1-2H3/b21-12-
InChIKey
CBABSOFYVGGRAR-MTJSOVHGSA-N
Synonyms
929488-73-3
(2Z)2(13benzodioxol5ylmethylidene)7((dipropylamino)methyl)6hydroxy1benzofuran3(2H)one
(2Z)2(13benzodioxol5ylmethylidene)7((dipropylazaniumyl)methyl)3oxo1benzofuran6olate
(Z)2(benzo(d)(13)dioxol5ylmethylene)7((dipropylamino)methyl)6hydroxybenzofuran3(2H)one
929488733
CCC(NH+)(CCC)CC1=C(C=CC2=C1OC(=CC3=CC4=C(C=C3)OCO4)C2=O)(O)
CCCN(Cc1c(O)ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O)CCC
InChI=1SC23H25NO5c13924(1042)131718(25)761622(26)21(2923(16)17)1215581920(1115)28142719h58111225H349101314H212H3b2112

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Available files

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