Vitas-M small molecule compound
2-bromo-4-[(E)-(2-{[2,4-dibromo-3-methyl-6-(propan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]phenyl 4-nitrobenzoate
Catalog ID
STK669068
SMILES O=C(COc1c(cc(c(c1Br)C)Br)C(C)C)N/N=C/c1ccc(c(c1)Br)OC(=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 C26H22Br3N3O6 MW 712.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Br3N3O6/c1-14(2)19-11-20(27)15(3)24(29)25(19)37-13-23(33)31-30-12-16-4-9-22(21(28)10-16)38-26(34)17-5-7-18(8-6-17)32(35)36/h4-12,14H,13H2,1-3H3,(H,31,33)/b30-12+InChIKey
DWYSREDXRGNYSA-PNQUVVCRSA-NSynonyms
(2bromo4((E)((2(24dibromo3methyl6propan2ylphenoxy)acetyl)hydrazinylidene)methyl)phenyl)4nitrobenzoate
2bromo4((E)(2((24dibromo3methyl6(propan2yl)phenoxy)acetyl)hydrazinylidene)methyl)phenyl4nitrobenzoate
CC1=C(C=C(C(=C1Br)OCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))Br)C(C)C)Br
InChI=1SC26H22Br3N3O6c114(2)191120(27)15(3)24(29)25(19)371323(33)313012164922(21(28)1016)3826(34)175718(8617)32(35)36h41214H13H213H3(H3133)b3012+
MFCD00733536
O=C(COc1c(cc(c(c1Br)C)Br)C(C)C)NN=Cc1ccc(c(c1)Br)OC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000098001250
ZINC150597233
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