Vitas-M small molecule compound
3-[(E)-(2-{(2Z)-3-[4-(dimethylamino)phenyl]-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]phenyl 4-nitrobenzoate
Catalog ID
STK499209
SMILES CN(c1ccc(cc1)/C=C(/C(=O)N/N=C/c1cccc(c1)OC(=O)c1ccc(cc1)[N+](=O)[O-])\NC(=O)c1ccccc1)C
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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 C32H27N5O6 MW 577.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N5O6/c1-36(2)26-15-11-22(12-16-26)20-29(34-30(38)24-8-4-3-5-9-24)31(39)35-33-21-23-7-6-10-28(19-23)43-32(40)25-13-17-27(18-14-25)37(41)42/h3-21H,1-2H3,(H,34,38)(H,35,39)/b29-20-,33-21+InChIKey
UOWCBNVXCMZOCP-MHXCCYJFSA-NSynonyms
(3((E)(((Z)2benzamido3(4(dimethylamino)phenyl)prop2enoyl)hydrazinylidene)methyl)phenyl)4nitrobenzoate
3((E)(2((2Z)3(4(dimethylamino)phenyl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)phenyl4nitrobenzoate
CN(C)C1=CC=C(C=C1)C=C(C(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))NC(=O)C4=CC=CC=C4
CN(c1ccc(cc1)C=C(C(=O)NN=Cc1cccc(c1)OC(=O)c1ccc(cc1)(N+)(=O)(O))NC(=O)c1ccccc1)C
InChI=1SC32H27N5O6c136(2)26151122(121626)2029(3430(38)248435924)31(39)35332123761028(1923)4332(40)25131727(181425)37(41)42h321H12H3(H3438)(H3539)b29203321+
MFCD11855642
ZINC000059192791
ZINC102277417
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