Vitas-M small molecule compound

4-[(E)-{2-[(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene}methyl]-2-methoxyphenyl 4-nitrobenzoate

Catalog ID
STK671110
SMILES COc1cc(/C=N/NC(=O)COc2ccc(cc2Br)[N+](=O)[O-])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 C23H17BrN4O9 MW 573.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN4O9/c1-35-21-10-14(2-8-20(21)37-23(30)15-3-5-16(6-4-15)27(31)32)12-25-26-22(29)13-36-19-9-7-17(28(33)34)11-18(19)24/h2-12H,13H2,1H3,(H,26,29)/b25-12+
InChIKey
NHNLASVJCGZBPF-BRJLIKDPSA-N
Synonyms

(4((E)((2(2bromo4nitrophenoxy)acetyl)hydrazinylidene)methyl)2methoxyphenyl)4nitrobenzoate
4((E)(2((2bromo4nitrophenoxy)acetyl)hydrazinylidene)methyl)2methoxyphenyl4nitrobenzoate
COC1=C(C=CC(=C1)C=NNC(=O)COC2=C(C=C(C=C2)(N+)(=O)(O))Br)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(C=NNC(=O)COc2ccc(cc2Br)(N+)(=O)(O))ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H17BrN4O9c135211014(2820(21)3723(30)153516(6415)27(31)32)12252622(29)1336199717(28(33)34)1118(19)24h212H13H21H3(H2629)b2512+
MFCD00747251
ZINC000003091223
ZINC102775459

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Available files

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