Vitas-M small molecule compound
(2Z)-7-{[butyl(methyl)ammonio]methyl}-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK852080
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)[N+](=O)[O-])/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 C21H22N2O5 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5/c1-3-4-10-22(2)13-17-18(24)9-8-16-20(25)19(28-21(16)17)12-14-6-5-7-15(11-14)23(26)27/h5-9,11-12,24H,3-4,10,13H2,1-2H3/b19-12-InChIKey
RDNDAGHBJDTOFI-UNOMPAQXSA-NSynonyms
1178096-74-6(2Z)7((BUTYL(METHYL)AMINO)METHYL)6HYDROXY2((3NITROPHENYL)METHYLIDENE)1BENZOFURAN3ONE
(2Z)7((butyl(methyl)ammonio)methyl)2(3nitrobenzylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((butyl(methyl)azaniumyl)methyl)2((3nitrophenyl)methylidene)3oxo1benzofuran6olate
1178096746
7((BUTYLMETHYLAMINO)METHYL)6HYDROXY2((3NITROPHENYL)METHYLENE)BENZO(B)FURAN3ONE
CCCC(NH+)(C)CC1=C(C=CC2=C1OC(=CC3=CC(=CC=C3)(N+)(=O)(O))C2=O)(O)
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cccc(c1)(N+)(=O)(O))C2=O)C
InChI=1SC21H22N2O5c1341022(2)131718(24)981620(25)19(2821(16)17)121465715(1114)23(26)27h59111224H341013H212H3b1912
MFCD06593894
ZINC000020503837
ZINC20503837
Check stock
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