Vitas-M small molecule compound
methyl 4-[(E)-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]hydrazinylidene}methyl]benzoate
Catalog ID
STL053704
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)Cn1nc(c(c1C)[N+](=O)[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 C16H17N5O5 MW 359.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O5/c1-10-15(21(24)25)11(2)20(19-10)9-14(22)18-17-8-12-4-6-13(7-5-12)16(23)26-3/h4-8H,9H2,1-3H3,(H,18,22)/b17-8+InChIKey
KDBMAUPKMZTBQK-CAOOACKPSA-NSynonyms
1005844-44-9(E)methyl4((2(2(35dimethyl4nitro1Hpyrazol1yl)acetyl)hydrazono)methyl)benzoate
1005844449
CC1=C(C(=NN1CC(=O)NN=CC2=CC=C(C=C2)C(=O)OC)C)(N+)(=O)(O)
COC(=O)c1ccc(cc1)C=NNC(=O)Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC16H17N5O5c11015(21(24)25)11(2)20(1910)914(22)18178124613(7512)16(23)263h48H9H213H3(H1822)b178+
METHYL4((E)((2(35DIMETHYL4NITROPYRAZOL1YL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
methyl4((E)(2((35dimethyl4nitro1Hpyrazol1yl)acetyl)hydrazinylidene)methyl)benzoate
MFCD03887366
ZINC000005218608
ZINC33333341
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