Vitas-M small molecule compound
2-methoxy-4-[(E)-{2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]hydrazinylidene}methyl]phenyl benzoate
Catalog ID
STK570687
SMILES COc1cc(/C=N/NC(=O)Cn2nc(cc2C)[N+](=O)[O-])ccc1OC(=O)c1ccccc1
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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 C21H19N5O6 MW 437.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O6/c1-14-10-19(26(29)30)24-25(14)13-20(27)23-22-12-15-8-9-17(18(11-15)31-2)32-21(28)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,23,27)/b22-12+InChIKey
GCHSRMQQFKRWMO-WSDLNYQXSA-NSynonyms
1006508-67-3(2METHOXY4((E)((2(5METHYL3NITROPYRAZOL1YL)ACETYL)HYDRAZINYLIDENE)METHYL)PHENYL)BENZOATE
(E)2methoxy4((2(2(5methyl3nitro1Hpyrazol1yl)acetyl)hydrazono)methyl)phenylbenzoate
1006508673
2methoxy4((E)(2((5methyl3nitro1Hpyrazol1yl)acetyl)hydrazinylidene)methyl)phenylbenzoate
CC1=CC(=NN1CC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)(N+)(=O)(O)
COc1cc(C=NNC(=O)Cn2nc(cc2C)(N+)(=O)(O))ccc1OC(=O)c1ccccc1
InChI=1SC21H19N5O6c1141019(26(29)30)2425(14)1320(27)232212158917(18(1115)312)3221(28)166435716h312H13H212H3(H2327)b2212+
MFCD03328345
ZINC000009191866
ZINC33334555
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