Vitas-M small molecule compound

3-{3-[(4-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide

Catalog ID
STK101521
SMILES Clc1ccc(cc1)COc1cccc(c1)c1n[nH]c(c1)C(=O)N/N=C/C=C/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 C26H21ClN4O2 MW 456.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN4O2/c27-22-13-11-20(12-14-22)18-33-23-10-4-9-21(16-23)24-17-25(30-29-24)26(32)31-28-15-5-8-19-6-2-1-3-7-19/h1-17H,18H2,(H,29,30)(H,31,32)/b8-5+,28-15+
InChIKey
RPXPDOCJGUHQJQ-OZEOTOAESA-N
Synonyms
1285633-00-2
(E)3(3((4chlorobenzyl)oxy)phenyl)N((E)3phenylallylidene)1Hpyrazole5carbohydrazide
1285633002
3(3((4CHLOROBENZYL)OXY)PHENYL)N((1E2E)3PHENYLPROP2EN1YLIDENE)1HPYRAZOLE5CARBOHYDRAZIDE
3(3((4CHLOROPHENYL)METHOXY)PHENYL)N((E)((E)3PHENYLPROP2ENYLIDENE)AMINO)1HPYRAZOLE5CARBOXAMIDE
C1=CC=C(C=C1)C=CC=NNC(=O)C2=CC(=NN2)C3=CC(=CC=C3)OCC4=CC=C(C=C4)Cl
Clc1ccc(cc1)COc1cccc(c1)c1n(nH)c(c1)C(=O)NN=CC=Cc1ccccc1
InChI=1SC26H21ClN4O2c2722131120(121422)183323104921(1623)241725(302924)26(32)31281558196213719h117H18H2(H2930)(H3132)b85+2815+
MFCD03087768
N((1E3E)4PHENYL1AZABUTA13DIENYL)(3(3((4CHLOROPHENYL)METHOXY)PHENYL)PYRAZOL5YL)CARBOXAMIDE
ZINC000004528020
ZINC34262946

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.