Vitas-M small molecule compound
2-bromo-6-[(E)-(2-{[5-methyl-2-(propan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]-4-nitrophenyl 4-bromobenzoate
Catalog ID
STK671996
SMILES O=C(COc1cc(C)ccc1C(C)C)N/N=C/c1cc(cc(c1OC(=O)c1ccc(cc1)Br)Br)[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 C26H23Br2N3O6 MW 633.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23Br2N3O6/c1-15(2)21-9-4-16(3)10-23(21)36-14-24(32)30-29-13-18-11-20(31(34)35)12-22(28)25(18)37-26(33)17-5-7-19(27)8-6-17/h4-13,15H,14H2,1-3H3,(H,30,32)/b29-13+InChIKey
POSGYAPGCNNHIX-VFLNYLIXSA-NSynonyms
(2bromo6((E)((2(5methyl2propan2ylphenoxy)acetyl)hydrazinylidene)methyl)4nitrophenyl)4bromobenzoate
2bromo6((E)(2((5methyl2(propan2yl)phenoxy)acetyl)hydrazinylidene)methyl)4nitrophenyl4bromobenzoate
CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=CC2=CC(=CC(=C2OC(=O)C3=CC=C(C=C3)Br)Br)(N+)(=O)(O)
InChI=1SC26H23Br2N3O6c115(2)219416(3)1023(21)361424(32)302913181120(31(34)35)1222(28)25(18)3726(33)175719(27)8617h41315H14H213H3(H3032)b2913+
MFCD00822101
O=C(COc1cc(C)ccc1C(C)C)NN=Cc1cc(cc(c1OC(=O)c1ccc(cc1)Br)Br)(N+)(=O)(O)
ZINC000098001668
ZINC150561335
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