Vitas-M small molecule compound
N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)hydrazinyl]-3-oxoprop-1-en-2-yl}benzamide
Catalog ID
STK093474
SMILES CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)cc(c1O)[N+](=O)[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 C26H22N4O8 MW 518.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O8/c1-2-36-23-13-17(11-20(24(23)31)30(34)35)14-27-29-26(33)19(28-25(32)18-6-4-3-5-7-18)10-16-8-9-21-22(12-16)38-15-37-21/h3-14,31H,2,15H2,1H3,(H,28,32)(H,29,33)/b19-10+,27-14+InChIKey
XMPFCXQWBKLXHK-QXFNRMSRSA-NSynonyms
CCOc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(c1O)(N+)(=O)(O)
MFCD02066907
N((1E)1(13benzodioxol5yl)3((2E)2(3ethoxy4hydroxy5nitrobenzylidene)hydrazinyl)3oxoprop1en2yl)benzamide
STK093474
ZINC000013895158
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