Vitas-M small molecule compound
4-[(E)-{2-[(3-bromophenyl)carbonyl]hydrazinylidene}methyl]-2-methoxyphenyl 4-nitrobenzoate
Catalog ID
STK249352
SMILES COc1cc(/C=N/NC(=O)c2cccc(c2)Br)ccc1OC(=O)c1ccc(cc1)[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 C22H16BrN3O6 MW 498.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrN3O6/c1-31-20-11-14(13-24-25-21(27)16-3-2-4-17(23)12-16)5-10-19(20)32-22(28)15-6-8-18(9-7-15)26(29)30/h2-13H,1H3,(H,25,27)/b24-13+InChIKey
NYYQDDSJVRKJIY-ZMOGYAJESA-NSynonyms
(4((E)((3bromobenzoyl)hydrazinylidene)methyl)2methoxyphenyl)4nitrobenzoate
4((E)(2((3bromophenyl)carbonyl)hydrazinylidene)methyl)2methoxyphenyl4nitrobenzoate
COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)Br)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(C=NNC(=O)c2cccc(c2)Br)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H16BrN3O6c131201114(13242521(27)1632417(23)1216)51019(20)3222(28)156818(9715)26(29)30h213H1H3(H2527)b2413+
MFCD08685023
ZINC000009668317
ZINC98031336
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