Vitas-M small molecule compound
(2Z)-2-(3-chlorobenzylidene)-7-[(diethylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK849877
SMILES CC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)Cl)/C2=O)CC
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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 C20H20ClNO3 MW 357.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClNO3/c1-3-22(4-2)12-16-17(23)9-8-15-19(24)18(25-20(15)16)11-13-6-5-7-14(21)10-13/h5-11,23H,3-4,12H2,1-2H3/b18-11-InChIKey
KUXMBRGIHUJSHJ-WQRHYEAKSA-NSynonyms
900268-24-8(2Z)2((3chlorophenyl)methylidene)7((diethylazaniumyl)methyl)3oxo1benzofuran6olate
(2Z)2(3chlorobenzylidene)7((diethylammonio)methyl)3oxo23dihydro1benzofuran6olate
900268248
CC(NH+)(CC)CC1=C(C=CC2=C1OC(=CC3=CC(=CC=C3)Cl)C2=O)(O)
CC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cccc(c1)Cl)C2=O)CC
InChI=1SC20H20ClNO3c1322(42)121617(23)981519(24)18(2520(15)16)111365714(21)1013h51123H3412H212H3b1811
MFCD06612334
ZINC000020533468
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