Vitas-M small molecule compound
4-[(E)-{2-[(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene}methyl]-2-methoxyphenyl 4-nitrobenzoate
Catalog ID
STK667817
SMILES COc1cc(/C=N/NC(=O)COc2ccc(cc2Br)Cl)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 C23H17BrClN3O7 MW 562.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrClN3O7/c1-33-21-10-14(12-26-27-22(29)13-34-19-9-5-16(25)11-18(19)24)2-8-20(21)35-23(30)15-3-6-17(7-4-15)28(31)32/h2-12H,13H2,1H3,(H,27,29)/b26-12+InChIKey
BCGASUVQOQPQFM-RPPGKUMJSA-NSynonyms
(4((E)((2(2BROMO4CHLOROPHENOXY)ACETYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL)4NITROBENZOATE
4((E)(2((2bromo4chlorophenoxy)acetyl)hydrazinylidene)methyl)2methoxyphenyl4nitrobenzoate
COC1=C(C=CC(=C1)C=NNC(=O)COC2=C(C=C(C=C2)Cl)Br)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(C=NNC(=O)COc2ccc(cc2Br)Cl)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H17BrClN3O7c133211014(12262722(29)1334199516(25)1118(19)24)2820(21)3523(30)153617(7415)28(31)32h212H13H21H3(H2729)b2612+
MFCD18169434
ZINC000102654950
ZINC100042486
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