Vitas-M small molecule compound
4-[(E)-{2-[(3-bromophenyl)carbonyl]hydrazinylidene}methyl]-2-ethoxyphenyl 4-nitrobenzoate
Catalog ID
STK249351
SMILES CCOc1cc(/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 C23H18BrN3O6 MW 512.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN3O6/c1-2-32-21-12-15(14-25-26-22(28)17-4-3-5-18(24)13-17)6-11-20(21)33-23(29)16-7-9-19(10-8-16)27(30)31/h3-14H,2H2,1H3,(H,26,28)/b25-14+InChIKey
YWWKYGQGXCGMPE-AFUMVMLFSA-NSynonyms
(4((E)((3bromobenzoyl)hydrazinylidene)methyl)2ethoxyphenyl)4nitrobenzoate
4((E)(2((3bromophenyl)carbonyl)hydrazinylidene)methyl)2ethoxyphenyl4nitrobenzoate
CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)Br)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCOc1cc(C=NNC(=O)c2cccc(c2)Br)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H18BrN3O6c1232211215(14252622(28)1743518(24)1317)61120(21)3323(29)167919(10816)27(30)31h314H2H21H3(H2628)b2514+
MFCD08685022
ZINC000013844418
ZINC59825104
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