Vitas-M small molecule compound
4-[(Z)-{2-[(2-bromo-4,6-dimethylphenoxy)acetyl]hydrazinylidene}methyl]-2-methoxyphenyl 4-nitrobenzoate
Catalog ID
STK360966
SMILES COc1cc(/C=N\NC(=O)COc2c(C)cc(cc2Br)C)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 C25H22BrN3O7 MW 556.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN3O7/c1-15-10-16(2)24(20(26)11-15)35-14-23(30)28-27-13-17-4-9-21(22(12-17)34-3)36-25(31)18-5-7-19(8-6-18)29(32)33/h4-13H,14H2,1-3H3,(H,28,30)/b27-13-InChIKey
ZKFGAQSXFKGGKI-WKIKZPBSSA-NSynonyms
(4((Z)((2(2bromo46dimethylphenoxy)acetyl)hydrazinylidene)methyl)2methoxyphenyl)4nitrobenzoate
4((Z)(2((2bromo46dimethylphenoxy)acetyl)hydrazinylidene)methyl)2methoxyphenyl4nitrobenzoate
CC1=CC(=C(C(=C1)Br)OCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))OC)C
COc1cc(C=NNC(=O)COc2c(C)cc(cc2Br)C)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC25H22BrN3O7c1151016(2)24(20(26)1115)351423(30)282713174921(22(1217)343)3625(31)185719(8618)29(32)33h413H14H213H3(H2830)b2713
MFCD01149460
ZINC000059211911
ZINC101965562
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