Vitas-M small molecule compound

N'-[(E)-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]benzohydrazide

Catalog ID
STL231829
SMILES COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)/C=N/NC(=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 C21H21N5O4 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4/c1-14-20(26(28)29)15(2)25(24-14)13-18-11-16(9-10-19(18)30-3)12-22-23-21(27)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,23,27)/b22-12+
InChIKey
OQDZWPRVXURXEJ-WSDLNYQXSA-N
Synonyms
304652-41-3
(E)N(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxybenzylidene)benzohydrazide
304652413
CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC(=O)C3=CC=CC=C3)OC)C)(N+)(=O)(O)
COc1ccc(cc1Cn1nc(c(c1C)(N+)(=O)(O))C)C=NNC(=O)c1ccccc1
InChI=1SC21H21N5O4c11420(26(28)29)15(2)25(2414)13181116(91019(18)303)12222321(27)177546817h412H13H213H3(H2327)b2212+
MFCD02128262
N((E)(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxyphenyl)methylidene)benzohydrazide
N((E)(3((35DIMETHYL4NITROPYRAZOL1YL)METHYL)4METHOXYPHENYL)METHYLIDENEAMINO)BENZAMIDE
ZINC000002219783
ZINC33350779

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Available files

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