Vitas-M small molecule compound
(2Z)-7-(morpholin-4-ium-4-ylmethyl)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK581734
SMILES O=C1/C(=C/c2ccc(cc2)[N+](=O)[O-])/Oc2c1ccc(c2C[NH+]1CCOCC1)[O-]
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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 C20H18N2O6 MW 382.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O6/c23-17-6-5-15-19(24)18(11-13-1-3-14(4-2-13)22(25)26)28-20(15)16(17)12-21-7-9-27-10-8-21/h1-6,11,23H,7-10,12H2/b18-11-InChIKey
ANKPFGSSZDLWJA-WQRHYEAKSA-NSynonyms
896840-51-0(2Z)6HYDROXY7(MORPHOLIN4YLMETHYL)2((4NITROPHENYL)METHYLIDENE)1BENZOFURAN3ONE
(2Z)7(morpholin4ium4ylmethyl)2(4nitrobenzylidene)3oxo23dihydro1benzofuran6olate
6HYDROXY7(MORPHOLIN4YLMETHYL)2((4NITROPHENYL)METHYLENE)BENZO(B)FURAN3ONE
C1COCCN1CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)(N+)(=O)(O))C3=O)O
InChI=1SC20H18N2O6c2317651519(24)18(11131314(4213)22(25)26)2820(15)16(17)1221792710821h161123H71012H2b1811
MFCD06601396
O=C1C(=Cc2ccc(cc2)(N+)(=O)(O))Oc2c1ccc(c2C(NH+)1CCOCC1)(O)
ZINC000002228473
ZINC02228473
ZINC2228473
Check stock
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