Vitas-M small molecule compound
(2Z)-7-[(dimethylammonio)methyl]-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK853315
SMILES C[NH+](Cc1c([O-])cc(c2c1O/C(=C\c1ccncc1)/C2=O)C)C
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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 C18H18N2O3 MW 310.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O3/c1-11-8-14(21)13(10-20(2)3)18-16(11)17(22)15(23-18)9-12-4-6-19-7-5-12/h4-9,21H,10H2,1-3H3/b15-9-InChIKey
GBZWNWYMPCWHMO-DHDCSXOGSA-NSynonyms
903201-28-5(2Z)7((dimethylammonio)methyl)4methyl3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6olate
(2Z)7((dimethylazaniumyl)methyl)4methyl3oxo2(pyridin4ylmethylidene)1benzofuran6olate
903201285
C(NH+)(Cc1c((O))cc(c2c1OC(=Cc1ccncc1)C2=O)C)C
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=NC=C3)O2)C(NH+)(C)C)(O)
InChI=1SC18H18N2O3c111814(21)13(1020(2)3)1816(11)17(22)15(2318)91246197512h4921H10H213H3b159
MFCD08285610
ZINC000020573191
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