Vitas-M small molecule compound
(2Z)-7-(azepanium-1-ylmethyl)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK853210
SMILES O=C1/C(=C/c2ccc(cc2)[N+](=O)[O-])/Oc2c1ccc(c2C[NH+]1CCCCCC1)[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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c25-19-10-9-17-21(26)20(13-15-5-7-16(8-6-15)24(27)28)29-22(17)18(19)14-23-11-3-1-2-4-12-23/h5-10,13,25H,1-4,11-12,14H2/b20-13-InChIKey
LCSNCMJOWOOZTG-MOSHPQCFSA-NSynonyms
896074-37-6(2Z)7(azepanium1ylmethyl)2(4nitrobenzylidene)3oxo23dihydro1benzofuran6olate
896074376
C1CCCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)(N+)(=O)(O))C3=O)O
InChI=1SC22H22N2O5c25191091721(26)20(13155716(8615)24(27)28)2922(17)18(19)14231131241223h5101325H14111214H2b2013
MFCD06592505
O=C1C(=Cc2ccc(cc2)(N+)(=O)(O))Oc2c1ccc(c2C(NH+)1CCCCCC1)(O)
ZINC000002438476
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