Vitas-M small molecule compound

(2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK855756
SMILES COCC[NH+](Cc1c([O-])cc(c2c1O/C(=C\c1ccncc1)/C2=O)C)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 C22H26N2O5 MW 398.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O5/c1-15-12-18(25)17(14-24(8-10-27-2)9-11-28-3)22-20(15)21(26)19(29-22)13-16-4-6-23-7-5-16/h4-7,12-13,25H,8-11,14H2,1-3H3/b19-13-
InChIKey
SDJXELKCCNQWBC-UYRXBGFRSA-N
Synonyms
904011-70-7
(2Z)7((bis(2methoxyethyl)ammonio)methyl)4methyl3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6olate
(2Z)7((bis(2methoxyethyl)azaniumyl)methyl)4methyl3oxo2(pyridin4ylmethylidene)1benzofuran6olate
904011707
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=NC=C3)O2)C(NH+)(CCOC)CCOC)(O)
COCC(NH+)(Cc1c((O))cc(c2c1OC(=Cc1ccncc1)C2=O)C)CCOC
InChI=1SC22H26N2O5c1151218(25)17(1424(810272)911283)2220(15)21(26)19(2922)131646237516h47121325H81114H213H3b1913
MFCD08289686
ZINC000020589189

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Available files

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