Vitas-M small molecule compound
3-[(E)-{2-[(2,3,6-trimethylphenoxy)acetyl]hydrazinylidene}methyl]phenyl 1,3-benzodioxole-5-carboxylate
Catalog ID
STK346473
SMILES O=C(COc1c(C)ccc(c1C)C)N/N=C/c1cccc(c1)OC(=O)c1ccc2c(c1)OCO2
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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 C26H24N2O6 MW 460.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O6/c1-16-7-8-17(2)25(18(16)3)31-14-24(29)28-27-13-19-5-4-6-21(11-19)34-26(30)20-9-10-22-23(12-20)33-15-32-22/h4-13H,14-15H2,1-3H3,(H,28,29)/b27-13+InChIKey
DGTVHRVLVIJLRL-UVHMKAGCSA-NSynonyms
(3((E)((2(236trimethylphenoxy)acetyl)hydrazinylidene)methyl)phenyl)13benzodioxole5carboxylate
3((E)(2((236trimethylphenoxy)acetyl)hydrazinylidene)methyl)phenyl13benzodioxole5carboxylate
CC1=C(C(=C(C=C1)C)OCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC4=C(C=C3)OCO4)C
InChI=1SC26H24N2O6c1167817(2)25(18(16)3)311424(29)2827131954621(1119)3426(30)209102223(1220)33153222h413H1415H213H3(H2829)b2713+
MFCD01057366
O=C(COc1c(C)ccc(c1C)C)NN=Cc1cccc(c1)OC(=O)c1ccc2c(c1)OCO2
ZINC000012859252
ZINC59475727
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