Vitas-M small molecule compound

2,4-dibromo-6-{(E)-[2-({[(3,4-dimethoxyphenyl)carbonyl]amino}acetyl)hydrazinylidene]methyl}phenyl 1,3-benzodioxole-5-carboxylate (non-preferred name)

Catalog ID
STK370380
SMILES COc1ccc(cc1OC)C(=O)NCC(=O)N/N=C/c1cc(Br)cc(c1OC(=O)c1ccc2c(c1)OCO2)Br

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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 C26H21Br2N3O8 MW 663.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21Br2N3O8/c1-35-19-5-3-14(8-21(19)36-2)25(33)29-12-23(32)31-30-11-16-7-17(27)10-18(28)24(16)39-26(34)15-4-6-20-22(9-15)38-13-37-20/h3-11H,12-13H2,1-2H3,(H,29,33)(H,31,32)/b30-11+
InChIKey
AZGIPSZGSRLCBS-KNBZMSCYSA-N
Synonyms

(24dibromo6((E)((2((34dimethoxybenzoyl)amino)acetyl)hydrazinylidene)methyl)phenyl)13benzodioxole5carboxylate
2((1E)2(2((34DIMETHOXYPHENYL)CARBONYLAMINO)ACETYLAMINO)2AZAVINYL)46DIBROMOPHENYL2HBENZO(34D)13DIOXOLENE5CARBOXYLATE
24dibromo6((E)(2((((34dimethoxyphenyl)carbonyl)amino)acetyl)hydrazinylidene)methyl)phenyl13benzodioxole5carboxylate(nonpreferredname)
COC1=C(C=C(C=C1)C(=O)NCC(=O)NN=CC2=CC(=CC(=C2OC(=O)C3=CC4=C(C=C3)OCO4)Br)Br)OC
COc1ccc(cc1OC)C(=O)NCC(=O)NN=Cc1cc(Br)cc(c1OC(=O)c1ccc2c(c1)OCO2)Br
InChI=1SC26H21Br2N3O8c135195314(821(19)362)25(33)291223(32)31301116717(27)1018(28)24(16)3926(34)15462022(915)38133720h311H1213H212H3(H2933)(H3132)b3011+
MFCD00305114
ZINC000004018596
ZINC150625598

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.