Vitas-M small molecule compound

3-[(E)-{2-[(3-methyl-1H-pyrazol-5-yl)carbonyl]hydrazinylidene}methyl]phenyl 4-nitrobenzoate

Catalog ID
STK030362
SMILES Cc1n[nH]c(c1)C(=O)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 C19H15N5O5 MW 393.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N5O5/c1-12-9-17(22-21-12)18(25)23-20-11-13-3-2-4-16(10-13)29-19(26)14-5-7-15(8-6-14)24(27)28/h2-11H,1H3,(H,21,22)(H,23,25)/b20-11+
InChIKey
IOGRUFKQOZRHPU-RGVLZGJSSA-N
Synonyms

(3((E)((5methyl1Hpyrazole3carbonyl)hydrazinylidene)methyl)phenyl)4nitrobenzoate
3((E)(2((3METHYL1HPYRAZOL5YL)CARBONYL)HYDRAZINYLIDENE)METHYL)PHENYL4NITROBENZOATE
CC1=CC(=NN1)C(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
Cc1n(nH)c(c1)C(=O)NN=Cc1cccc(c1)OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H15N5O5c112917(222112)18(25)2320111332416(1013)2919(26)145715(8614)24(27)28h211H1H3(H2122)(H2325)b2011+
MFCD00650058
STK030362
ZINC000004566828
ZINC33778957

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Available files

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