Vitas-M small molecule compound

4-{5-[(E)-{2-[(7-methoxy-5-nitro-1-benzofuran-2-yl)carbonyl]hydrazinylidene}methyl]furan-2-yl}-3-methylbenzoic acid

Catalog ID
STK195870
SMILES COc1cc(cc2c1oc(c2)C(=O)N/N=C/c1ccc(o1)c1ccc(cc1C)C(=O)O)[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 C23H17N3O8 MW 463.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O8/c1-12-7-13(23(28)29)3-5-17(12)18-6-4-16(33-18)11-24-25-22(27)20-9-14-8-15(26(30)31)10-19(32-2)21(14)34-20/h3-11H,1-2H3,(H,25,27)(H,28,29)/b24-11+
InChIKey
NADQIPRNUGDLOL-BHGWPJFGSA-N
Synonyms

4(5((1E)2((7METHOXY5NITROBENZO(D)FURAN2YL)CARBONYLAMINO)2AZAVINYL)(2FURYL))3METHYLBENZOICACID
4(5((E)((7methoxy5nitro1benzofuran2carbonyl)hydrazinylidene)methyl)furan2yl)3methylbenzoicacid
4(5((E)(2((7METHOXY5NITRO1BENZOFURAN2YL)CARBONYL)HYDRAZINYLIDENE)METHYL)FURAN2YL)3METHYLBENZOICACID
CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=NNC(=O)C3=CC4=CC(=CC(=C4O3)OC)(N+)(=O)(O)
COc1cc(cc2c1oc(c2)C(=O)NN=Cc1ccc(o1)c1ccc(cc1C)C(=O)O)(N+)(=O)(O)
InChI=1SC23H17N3O8c112713(23(28)29)3517(12)186416(3318)11242522(27)20914815(26(30)31)1019(322)21(14)3420h311H12H3(H2527)(H2829)b2411+
MFCD06150786
ZINC000008782925
ZINC33628099

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.