Vitas-M small molecule compound
4-[(E)-{2-[(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene}methyl]-2-methoxyphenyl 3,4,5-trimethoxybenzoate
Catalog ID
STK076714
SMILES COc1cc(/C=N/NC(=O)COc2ccc(cc2Br)[N+](=O)[O-])ccc1OC(=O)c1cc(OC)c(c(c1)OC)OC
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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 C26H24BrN3O10 MW 618.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrN3O10/c1-35-21-9-15(13-28-29-24(31)14-39-19-8-6-17(30(33)34)12-18(19)27)5-7-20(21)40-26(32)16-10-22(36-2)25(38-4)23(11-16)37-3/h5-13H,14H2,1-4H3,(H,29,31)/b28-13+InChIKey
NNNMESIZEIZNST-XODNFHPESA-NSynonyms
(4((E)((2(2bromo4nitrophenoxy)acetyl)hydrazinylidene)methyl)2methoxyphenyl)345trimethoxybenzoate
4((E)(2((2BROMO4NITROPHENOXY)ACETYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL345TRIMETHOXYBENZOATE
COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)COC3=C(C=C(C=C3)(N+)(=O)(O))Br)OC
COc1cc(C=NNC(=O)COc2ccc(cc2Br)(N+)(=O)(O))ccc1OC(=O)c1cc(OC)c(c(c1)OC)OC
InChI=1SC26H24BrN3O10c13521915(13282924(31)1439198617(30(33)34)1218(19)27)5720(21)4026(32)161022(362)25(384)23(1116)373h513H14H214H3(H2931)b2813+
MFCD00313331
STK076714
ZINC000006906781
ZINC101477442
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