Vitas-M small molecule compound
(2Z)-2-(3-nitrobenzylidene)-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK851739
SMILES O=C1/C(=C/c2cccc(c2)[N+](=O)[O-])/Oc2c1ccc(c2C[NH+]1CCCCC1)[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 C21H20N2O5 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5/c24-18-8-7-16-20(25)19(12-14-5-4-6-15(11-14)23(26)27)28-21(16)17(18)13-22-9-2-1-3-10-22/h4-8,11-12,24H,1-3,9-10,13H2/b19-12-InChIKey
BLBHGMICGQGTNT-UNOMPAQXSA-NSynonyms
899388-29-5(2Z)2(3nitrobenzylidene)3oxo7(piperidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)6HYDROXY2((3NITROPHENYL)METHYLIDENE)7(PIPERIDIN1YLMETHYL)1BENZOFURAN3ONE
6HYDROXY2((3NITROPHENYL)METHYLENE)7(PIPERIDYLMETHYL)BENZO(B)FURAN3ONE
899388295
C1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)(N+)(=O)(O))C3=O)O
InChI=1SC21H20N2O5c2418871620(25)19(121454615(1114)23(26)27)2821(16)17(18)132292131022h48111224H1391013H2b1912
MFCD06606012
O=C1C(=Cc2cccc(c2)(N+)(=O)(O))Oc2c1ccc(c2C(NH+)1CCCCC1)(O)
ZINC000002326931
ZINC2326931
Check stock
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