Vitas-M small molecule compound
4-[(E)-{2-[(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene}methyl]-2-methoxyphenyl 2-bromobenzoate
Catalog ID
STK671924
SMILES COc1cc(/C=N/NC(=O)COc2ccc(cc2Br)[N+](=O)[O-])ccc1OC(=O)c1ccccc1Br
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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 C23H17Br2N3O7 MW 607.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17Br2N3O7/c1-33-21-10-14(6-8-20(21)35-23(30)16-4-2-3-5-17(16)24)12-26-27-22(29)13-34-19-9-7-15(28(31)32)11-18(19)25/h2-12H,13H2,1H3,(H,27,29)/b26-12+InChIKey
WYEJIRNQKTWZKS-RPPGKUMJSA-NSynonyms
(4((E)((2(2bromo4nitrophenoxy)acetyl)hydrazinylidene)methyl)2methoxyphenyl)2bromobenzoate
4((E)(2((2bromo4nitrophenoxy)acetyl)hydrazinylidene)methyl)2methoxyphenyl2bromobenzoate
COC1=C(C=CC(=C1)C=NNC(=O)COC2=C(C=C(C=C2)(N+)(=O)(O))Br)OC(=O)C3=CC=CC=C3Br
COc1cc(C=NNC(=O)COc2ccc(cc2Br)(N+)(=O)(O))ccc1OC(=O)c1ccccc1Br
InChI=1SC23H17Br2N3O7c133211014(6820(21)3523(30)16423517(16)24)12262722(29)1334199715(28(31)32)1118(19)25h212H13H21H3(H2729)b2612+
MFCD00821862
ZINC000100046914
ZINC102776577
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