Vitas-M small molecule compound
(2Z)-7-{[butyl(methyl)ammonio]methyl}-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856475
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1sccc1C)/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 C20H23NO3S MW 357.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO3S/c1-4-5-9-21(3)12-15-16(22)7-6-14-19(23)17(24-20(14)15)11-18-13(2)8-10-25-18/h6-8,10-11,22H,4-5,9,12H2,1-3H3/b17-11-InChIKey
DOVDJUQTRQGIHK-BOPFTXTBSA-NSynonyms
929456-53-1(2Z)7((butyl(methyl)ammonio)methyl)2((3methylthiophen2yl)methylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((butyl(methyl)azaniumyl)methyl)2((3methylthiophen2yl)methylidene)3oxo1benzofuran6olate
929456531
CCCC(NH+)(C)CC1=C(C=CC2=C1OC(=CC3=C(C=CS3)C)C2=O)(O)
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1sccc1C)C2=O)C
InChI=1SC20H23NO3Sc145921(3)121516(22)761419(23)17(2420(14)15)111813(2)8102518h68101122H45912H213H3b1711
MFCD09791784
ZINC000020650574
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