Vitas-M small molecule compound

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

Catalog ID
STK852440
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccncc1)/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 C21H24N2O5 MW 384.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5/c1-26-11-9-23(10-12-27-2)14-17-18(24)4-3-16-20(25)19(28-21(16)17)13-15-5-7-22-8-6-15/h3-8,13,24H,9-12,14H2,1-2H3/b19-13-
InChIKey
YSFAKQMTMISJTD-UYRXBGFRSA-N
Synonyms
896809-07-7
(2Z)7((bis(2methoxyethyl)ammonio)methyl)3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6olate
896809077
COCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccncc1)C2=O)CCOC
COCCN(CCOC)CC1=C(C=CC2=C1OC(=CC3=CC=NC=C3)C2=O)O
InChI=1SC21H24N2O5c12611923(1012272)141718(24)431620(25)19(2821(16)17)131557228615h381324H91214H212H3b1913
MFCD06595493
ZINC000020504030

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Available files

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