Vitas-M small molecule compound
(2Z)-7-{[benzyl(methyl)ammonio]methyl}-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK854211
SMILES C[NH+](Cc1c([O-])cc(c2c1O/C(=C\c1ccncc1)/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/c1-16-12-20(27)19(15-26(2)14-18-6-4-3-5-7-18)24-22(16)23(28)21(29-24)13-17-8-10-25-11-9-17/h3-13,27H,14-15H2,1-2H3/b21-13-InChIKey
DYWVGPQRVOCJAT-BKUYFWCQSA-NSynonyms
903868-27-9(2Z)7((benzyl(methyl)ammonio)methyl)4methyl3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6olate
(2Z)7((benzyl(methyl)azaniumyl)methyl)4methyl3oxo2(pyridin4ylmethylidene)1benzofuran6olate
903868279
C(NH+)(Cc1c((O))cc(c2c1OC(=Cc1ccncc1)C2=O)C)Cc1ccccc1
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=NC=C3)O2)C(NH+)(C)CC4=CC=CC=C4)(O)
InChI=1SC24H22N2O3c1161220(27)19(1526(2)14186435718)2422(16)23(28)21(2924)13178102511917h31327H1415H212H3b2113
MFCD08287279
ZINC000020573545
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