Vitas-M small molecule compound
3-({2-methoxy-6-[(E)-{2-[(5-nitro-1-benzofuran-2-yl)carbonyl]hydrazinylidene}methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK192324
SMILES COc1cccc(c1OCc1cccc(c1)C(=O)O)/C=N/NC(=O)c1cc2c(o1)ccc(c2)[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 C25H19N3O8 MW 489.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O8/c1-34-21-7-3-6-17(23(21)35-14-15-4-2-5-16(10-15)25(30)31)13-26-27-24(29)22-12-18-11-19(28(32)33)8-9-20(18)36-22/h2-13H,14H2,1H3,(H,27,29)(H,30,31)/b26-13+InChIKey
NOUQBUCGSKGQKT-LGJNPRDNSA-NSynonyms
3((2methoxy6((E)((5nitro1benzofuran2carbonyl)hydrazinylidene)methyl)phenoxy)methyl)benzoicacid
3((2METHOXY6((E)(2((5NITRO1BENZOFURAN2YL)CARBONYL)HYDRAZINYLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
COC1=CC=CC(=C1OCC2=CC=CC(=C2)C(=O)O)C=NNC(=O)C3=CC4=C(O3)C=CC(=C4)(N+)(=O)(O)
COc1cccc(c1OCc1cccc(c1)C(=O)O)C=NNC(=O)c1cc2c(o1)ccc(c2)(N+)(=O)(O)
InChI=1SC25H19N3O8c1342173617(23(21)35141542516(1015)25(30)31)13262724(29)2212181119(28(32)33)8920(18)3622h213H14H21H3(H2729)(H3031)b2613+
MFCD04308080
ZINC000009261956
ZINC96850983
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