Vitas-M small molecule compound
3-({2-methoxy-4-[(E)-2-nitroethenyl]phenoxy}methyl)benzoic acid
Catalog ID
STK205100
SMILES COc1cc(ccc1OCc1cccc(c1)C(=O)O)/C=C/[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 C17H15NO6 MW 329.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO6/c1-23-16-10-12(7-8-18(21)22)5-6-15(16)24-11-13-3-2-4-14(9-13)17(19)20/h2-10H,11H2,1H3,(H,19,20)/b8-7+InChIKey
BEYTXTFEYCNHIB-BQYQJAHWSA-NSynonyms
3((2METHOXY4((E)2NITROETHENYL)PHENOXY)METHYL)BENZOICACID
3((2METHOXY4((E)2NITROVINYL)PHENOXY)METHYL)BENZOICACID
3((2METHOXY4(2NITROVINYL)PHENOXY)METHYL)BENZOICACID
COC1=C(C=CC(=C1)C=C(N+)(=O)(O))OCC2=CC=CC(=C2)C(=O)O
COc1cc(ccc1OCc1cccc(c1)C(=O)O)C=C(N+)(=O)(O)
InChI=1SC17H15NO6c123161012(7818(21)22)5615(16)24111332414(913)17(19)20h210H11H21H3(H1920)b87+
MFCD02788889
ZINC000004740773
ZINC4740773
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