Vitas-M small molecule compound
4-bromo-2-[(E)-{2-[(2,6-dimethyl-4-nitrophenoxy)acetyl]hydrazinylidene}methyl]phenyl benzoate
Catalog ID
STK181582
SMILES O=C(COc1c(C)cc(cc1C)[N+](=O)[O-])N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1
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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 C24H20BrN3O6 MW 526.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20BrN3O6/c1-15-10-20(28(31)32)11-16(2)23(15)33-14-22(29)27-26-13-18-12-19(25)8-9-21(18)34-24(30)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,27,29)/b26-13+InChIKey
YORUALHWXCJGMA-LGJNPRDNSA-NSynonyms
(4bromo2((E)((2(26dimethyl4nitrophenoxy)acetyl)hydrazinylidene)methyl)phenyl)benzoate
4BROMO2((E)(2((26DIMETHYL4NITROPHENOXY)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYLBENZOATE
CC1=CC(=CC(=C1OCC(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3)C)(N+)(=O)(O)
InChI=1SC24H20BrN3O6c1151020(28(31)32)1116(2)23(15)331422(29)272613181219(25)8921(18)3424(30)176435717h313H14H212H3(H2729)b2613+
MFCD00650044
O=C(COc1c(C)cc(cc1C)(N+)(=O)(O))NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1
ZINC000101708699
ZINC101708697
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