Vitas-M small molecule compound
(2Z)-7-[(dimethylammonio)methyl]-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848018
SMILES C[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 C18H16N2O5 MW 340.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O5/c1-19(2)10-14-15(21)7-6-13-17(22)16(25-18(13)14)9-11-4-3-5-12(8-11)20(23)24/h3-9,21H,10H2,1-2H3/b16-9-InChIKey
GKFACZQRJYFECC-SXGWCWSVSA-NSynonyms
899398-42-6(2Z)7((dimethylammonio)methyl)2(3nitrobenzylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((dimethylazaniumyl)methyl)2((3nitrophenyl)methylidene)3oxo1benzofuran6olate
(2Z)7(DIMETHYLAMINOMETHYL)6HYDROXY2((3NITROPHENYL)METHYLIDENE)1BENZOFURAN3ONE
7((DIMETHYLAMINO)METHYL)6HYDROXY2((3NITROPHENYL)METHYLENE)BENZO(B)FURAN3ONE
899398426
C(NH+)(C)CC1=C(C=CC2=C1OC(=CC3=CC(=CC=C3)(N+)(=O)(O))C2=O)(O)
C(NH+)(Cc1c((O))ccc2c1OC(=Cc1cccc(c1)(N+)(=O)(O))C2=O)C
InChI=1SC18H16N2O5c119(2)101415(21)761317(22)16(2518(13)14)91143512(811)20(23)24h3921H10H212H3b169
MFCD06604390
ZINC000020519175
ZINC20519175
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