Vitas-M small molecule compound

4-[(E)-{2-[(2-cyanophenoxy)acetyl]hydrazinylidene}methyl]-2-methoxy-3-nitrophenyl acetate

Catalog ID
STK750905
SMILES COc1c(ccc(c1[N+](=O)[O-])/C=N/NC(=O)COc1ccccc1C#N)OC(=O)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 C19H16N4O7 MW 412.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O7/c1-12(24)30-16-8-7-14(18(23(26)27)19(16)28-2)10-21-22-17(25)11-29-15-6-4-3-5-13(15)9-20/h3-8,10H,11H2,1-2H3,(H,22,25)/b21-10+
InChIKey
NELRPQFXVTVHOS-UFFVCSGVSA-N
Synonyms

(4((E)((2(2cyanophenoxy)acetyl)hydrazinylidene)methyl)2methoxy3nitrophenyl)acetate
4((E)(2((2cyanophenoxy)acetyl)hydrazinylidene)methyl)2methoxy3nitrophenylacetate
CC(=O)OC1=C(C(=C(C=C1)C=NNC(=O)COC2=CC=CC=C2C#N)(N+)(=O)(O))OC
COc1c(ccc(c1(N+)(=O)(O))C=NNC(=O)COc1ccccc1C#N)OC(=O)C
InChI=1SC19H16N4O7c112(24)30168714(18(23(26)27)19(16)282)10212217(25)112915643513(15)920h3810H11H212H3(H2225)b2110+
MFCD00739757
ZINC000003085598
ZINC33517351

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.