Vitas-M small molecule compound

3-[4-(benzyloxy)-3-methoxyphenyl]-N'-[(E)-(4-fluorophenyl)methylidene]-1H-pyrazole-5-carbohydrazide

Catalog ID
STK101577
SMILES COc1cc(ccc1OCc1ccccc1)c1n[nH]c(c1)C(=O)N/N=C/c1ccc(cc1)F

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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 C25H21FN4O3 MW 444.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN4O3/c1-32-24-13-19(9-12-23(24)33-16-18-5-3-2-4-6-18)21-14-22(29-28-21)25(31)30-27-15-17-7-10-20(26)11-8-17/h2-15H,16H2,1H3,(H,28,29)(H,30,31)/b27-15+
InChIKey
LJYSHADUERCPID-JFLMPSFJSA-N
Synonyms
1027619-17-5
(E)3(4(benzyloxy)3methoxyphenyl)N(4fluorobenzylidene)1Hpyrazole5carbohydrazide
1027619175
3(4(BENZYLOXY)3METHOXYPHENYL)N((E)(4FLUOROPHENYL)METHYLIDENE)1HPYRAZOLE5CARBOHYDRAZIDE
COC1=C(C=CC(=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=C(C=C3)F)OCC4=CC=CC=C4
COc1cc(ccc1OCc1ccccc1)c1n(nH)c(c1)C(=O)NN=Cc1ccc(cc1)F
InChI=1SC25H21FN4O3c132241319(91223(24)3316185324618)211422(292821)25(31)3027151771020(26)11817h215H16H21H3(H2829)(H3031)b2715+
MFCD03666375
N((1E)2(4FLUOROPHENYL)1AZAVINYL)(3(3METHOXY4(PHENYLMETHOXY)PHENYL)PYRAZOL5YL)CARBOXAMIDE
N((E)(4fluorophenyl)methylideneamino)3(3methoxy4phenylmethoxyphenyl)1Hpyrazole5carboxamide
ZINC000018148589
ZINC33340669

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Available files

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