Vitas-M small molecule compound
(2Z)-7-{[butyl(methyl)ammonio]methyl}-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848647
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccncc1)/C2=O)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 C20H22N2O3 MW 338.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3/c1-3-4-11-22(2)13-16-17(23)6-5-15-19(24)18(25-20(15)16)12-14-7-9-21-10-8-14/h5-10,12,23H,3-4,11,13H2,1-2H3/b18-12-InChIKey
IAINXXQOEUSHCZ-PDGQHHTCSA-NSynonyms
896593-50-3(2Z)7((BUTYL(METHYL)AMINO)METHYL)6HYDROXY2(PYRIDIN4YLMETHYLIDENE)1BENZOFURAN3ONE
(2Z)7((butyl(methyl)ammonio)methyl)3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6olate
7((BUTYLMETHYLAMINO)METHYL)6HYDROXY2(4PYRIDYLMETHYLENE)BENZO(B)FURAN3ONE
896593503
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccncc1)C2=O)C
CCCCN(C)CC1=C(C=CC2=C1OC(=CC3=CC=NC=C3)C2=O)O
InChI=1SC20H22N2O3c1341122(2)131617(23)651519(24)18(2520(15)16)1214792110814h5101223H341113H212H3b1812
MFCD06594190
ZINC000020503873
ZINC20503873
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