Vitas-M small molecule compound
4-[(E)-{2-[(4-tert-butylphenoxy)acetyl]hydrazinylidene}methyl]-2-methoxyphenyl 4-nitrobenzoate
Catalog ID
STK394711
SMILES COc1cc(/C=N/NC(=O)COc2ccc(cc2)C(C)(C)C)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 C27H27N3O7 MW 505.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O7/c1-27(2,3)20-8-12-22(13-9-20)36-17-25(31)29-28-16-18-5-14-23(24(15-18)35-4)37-26(32)19-6-10-21(11-7-19)30(33)34/h5-16H,17H2,1-4H3,(H,29,31)/b28-16+InChIKey
IIGIFLIPHOOGNB-LQKURTRISA-NSynonyms
(4((E)((2(4tertbutylphenoxy)acetyl)hydrazinylidene)methyl)2methoxyphenyl)4nitrobenzoate
4((E)(2((4tertbutylphenoxy)acetyl)hydrazinylidene)methyl)2methoxyphenyl4nitrobenzoate
CC(C)(C)C1=CC=C(C=C1)OCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))OC
COc1cc(C=NNC(=O)COc2ccc(cc2)C(C)(C)C)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC27H27N3O7c127(23)2081222(13920)361725(31)2928161851423(24(1518)354)3726(32)1961021(11719)30(33)34h516H17H214H3(H2931)b2816+
MFCD00644412
ZINC000023411072
ZINC97024098
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