Vitas-M small molecule compound
4-[(E)-(2-{[(diphenylacetyl)amino]acetyl}hydrazinylidene)methyl]-2-methoxyphenyl 2-bromobenzoate (non-preferred name)
Catalog ID
STK672086
SMILES COc1cc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC(=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 C31H26BrN3O5 MW 600.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26BrN3O5/c1-39-27-18-21(16-17-26(27)40-31(38)24-14-8-9-15-25(24)32)19-34-35-28(36)20-33-30(37)29(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19,29H,20H2,1H3,(H,33,37)(H,35,36)/b34-19+InChIKey
VYZFBTMLDZVKFL-ALQBTCKLSA-NSynonyms
(4((E)((2((22diphenylacetyl)amino)acetyl)hydrazinylidene)methyl)2methoxyphenyl)2bromobenzoate
4((E)(2(((diphenylacetyl)amino)acetyl)hydrazinylidene)methyl)2methoxyphenyl2bromobenzoate(nonpreferredname)
COC1=C(C=CC(=C1)C=NNC(=O)CNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4Br
COc1cc(C=NNC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC(=O)c1ccccc1Br
InChI=1SC31H26BrN3O5c139271821(161726(27)4031(38)2414891525(24)32)19343528(36)203330(37)29(22104251122)23126371323h21929H20H21H3(H3337)(H3536)b3419+
MFCD00822389
ZINC000100047262
ZINC102777035
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