Vitas-M small molecule compound
3-{(E)-[2-({[(3,4-dimethoxyphenyl)carbonyl]amino}acetyl)hydrazinylidene]methyl}phenyl 2-bromobenzoate (non-preferred name)
Catalog ID
STK672071
SMILES COc1cc(ccc1OC)C(=O)NCC(=O)N/N=C/c1cccc(c1)OC(=O)c1ccccc1Br
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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 C25H22BrN3O6 MW 540.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN3O6/c1-33-21-11-10-17(13-22(21)34-2)24(31)27-15-23(30)29-28-14-16-6-5-7-18(12-16)35-25(32)19-8-3-4-9-20(19)26/h3-14H,15H2,1-2H3,(H,27,31)(H,29,30)/b28-14+InChIKey
WHQDRIONDGYSIB-CCVNUDIWSA-NSynonyms
(3((E)((2((34dimethoxybenzoyl)amino)acetyl)hydrazinylidene)methyl)phenyl)2bromobenzoate
3((E)(2((((34dimethoxyphenyl)carbonyl)amino)acetyl)hydrazinylidene)methyl)phenyl2bromobenzoate(nonpreferredname)
COC1=C(C=C(C=C1)C(=O)NCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=CC=C3Br)OC
COc1cc(ccc1OC)C(=O)NCC(=O)NN=Cc1cccc(c1)OC(=O)c1ccccc1Br
InChI=1SC25H22BrN3O6c13321111017(1322(21)342)24(31)271523(30)2928141665718(1216)3525(32)19834920(19)26h314H15H212H3(H2731)(H2930)b2814+
MFCD00822355
ZINC000003115387
ZINC102777004
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