Vitas-M small molecule compound
3-[(E)-(2-{[5-methyl-2-(propan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]phenyl 4-nitrobenzoate
Catalog ID
STK745429
SMILES O=C(COc1cc(C)ccc1C(C)C)N/N=C/c1cccc(c1)OC(=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 C26H25N3O6 MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O6/c1-17(2)23-12-7-18(3)13-24(23)34-16-25(30)28-27-15-19-5-4-6-22(14-19)35-26(31)20-8-10-21(11-9-20)29(32)33/h4-15,17H,16H2,1-3H3,(H,28,30)/b27-15+InChIKey
HGNONOAJPKOYKY-JFLMPSFJSA-NSynonyms
(3((E)((2(5methyl2propan2ylphenoxy)acetyl)hydrazinylidene)methyl)phenyl)4nitrobenzoate
3((E)(2((5methyl2(propan2yl)phenoxy)acetyl)hydrazinylidene)methyl)phenyl4nitrobenzoate
CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC26H25N3O6c117(2)2312718(3)1324(23)341625(30)2827151954622(1419)3526(31)2081021(11920)29(32)33h41517H16H213H3(H2830)b2715+
MFCD00747431
O=C(COc1cc(C)ccc1C(C)C)NN=Cc1cccc(c1)OC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000003092085
ZINC33570899
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