Vitas-M small molecule compound

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-{[bis(2-methoxyethyl)ammonio]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK579251
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc3c(c1)OCO3)/C2=O)CCOC

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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 C23H25NO7 MW 427.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO7/c1-27-9-7-24(8-10-28-2)13-17-18(25)5-4-16-22(26)21(31-23(16)17)12-15-3-6-19-20(11-15)30-14-29-19/h3-6,11-12,25H,7-10,13-14H2,1-2H3/b21-12-
InChIKey
LEPNUQHRSFBRGV-MTJSOVHGSA-N
Synonyms
896804-05-0
(2Z)2(13benzodioxol5ylmethylidene)7((bis(2methoxyethyl)ammonio)methyl)3oxo23dihydro1benzofuran6olate
COCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O)CCOC
COCCN(CCOC)CC1=C(C=CC2=C1OC(=CC3=CC4=C(C=C3)OCO4)C2=O)O
InChI=1SC23H25NO7c1279724(810282)131718(25)541622(26)21(3123(16)17)1215361920(1115)30142919h36111225H7101314H212H3b2112
MFCD06593815
ZINC000020503822

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Available files

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