Vitas-M small molecule compound

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

Catalog ID
STK853671
SMILES C[NH+](Cc1c([O-])cc(c2c1O/C(=C\c1cccnc1)/C2=O)C)Cc1ccccc1

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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 C24H22N2O3 MW 386.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O3/c1-16-11-20(27)19(15-26(2)14-17-7-4-3-5-8-17)24-22(16)23(28)21(29-24)12-18-9-6-10-25-13-18/h3-13,27H,14-15H2,1-2H3/b21-12-
InChIKey
WIZRFJCQIUFXQV-MTJSOVHGSA-N
Synonyms
904509-16-6
(2Z)7((benzyl(methyl)ammonio)methyl)4methyl3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
(2Z)7((benzyl(methyl)azaniumyl)methyl)4methyl3oxo2(pyridin3ylmethylidene)1benzofuran6olate
904509166
C(NH+)(Cc1c((O))cc(c2c1OC(=Cc1cccnc1)C2=O)C)Cc1ccccc1
CC1=CC(=C(C2=C1C(=O)C(=CC3=CN=CC=C3)O2)C(NH+)(C)CC4=CC=CC=C4)(O)
InChI=1SC24H22N2O3c1161120(27)19(1526(2)14177435817)2422(16)23(28)21(2924)12189610251318h31327H1415H212H3b2112
MFCD08284808
ZINC000020572731

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Available files

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