Vitas-M small molecule compound
(2Z)-7-[(dimethylammonio)methyl]-3-oxo-2-[4-(propan-2-yl)benzylidene]-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856182
SMILES C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)C(C)C)/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 C21H23NO3 MW 337.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO3/c1-13(2)15-7-5-14(6-8-15)11-19-20(24)16-9-10-18(23)17(12-22(3)4)21(16)25-19/h5-11,13,23H,12H2,1-4H3/b19-11-InChIKey
ZQXOMSIWUUQWDQ-ODLFYWEKSA-NSynonyms
869077-07-6(2Z)7((dimethylammonio)methyl)3oxo2(4(propan2yl)benzylidene)23dihydro1benzofuran6olate
(2Z)7((dimethylazaniumyl)methyl)3oxo2((4propan2ylphenyl)methylidene)1benzofuran6olate
869077076
C(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(cc1)C(C)C)C2=O)C
CC(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)(C)C
InChI=1SC21H23NO3c113(2)157514(6815)111920(24)1691018(23)17(1222(3)4)21(16)2519h5111323H12H214H3b1911
MFCD06405717
ZINC000020624544
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