Vitas-M small molecule compound

N'-[(E)-{3-ethoxy-4-[(2-methylbenzyl)oxy]phenyl}methylidene]-4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide

Catalog ID
STK547483
SMILES CCOc1cc(/C=N/NC(=O)c2ccc(cc2)Cn2nc(cc2C)[N+](=O)[O-])ccc1OCc1ccccc1C

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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 C29H29N5O5 MW 527.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O5/c1-4-38-27-16-23(11-14-26(27)39-19-25-8-6-5-7-20(25)2)17-30-31-29(35)24-12-9-22(10-13-24)18-33-21(3)15-28(32-33)34(36)37/h5-17H,4,18-19H2,1-3H3,(H,31,35)/b30-17+
InChIKey
OTTUDZKXVTYQMQ-OCSSWDANSA-N
Synonyms
956148-66-6
(E)N(3ethoxy4((2methylbenzyl)oxy)benzylidene)4((5methyl3nitro1Hpyrazol1yl)methyl)benzohydrazide
956148666
CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)CN3C(=CC(=N3)(N+)(=O)(O))C)OCC4=CC=CC=C4C
CCOc1cc(C=NNC(=O)c2ccc(cc2)Cn2nc(cc2C)(N+)(=O)(O))ccc1OCc1ccccc1C
InChI=1SC29H29N5O5c1438271623(111426(27)391925865720(25)2)17303129(35)2412922(101324)183321(3)1528(3233)34(36)37h517H41819H213H3(H3135)b3017+
MFCD03296431
N((E)(3ethoxy4((2methylbenzyl)oxy)phenyl)methylidene)4((5methyl3nitro1Hpyrazol1yl)methyl)benzohydrazide
N((E)(3ETHOXY4((2METHYLPHENYL)METHOXY)PHENYL)METHYLIDENEAMINO)4((5METHYL3NITROPYRAZOL1YL)METHYL)BENZAMIDE
ZINC000002262257
ZINC33351792

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Available files

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