Vitas-M small molecule compound

3-[4-(benzyloxy)-3-methoxyphenyl]-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide

Catalog ID
STK110324
SMILES COc1cc(ccc1OCc1ccccc1)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 C27H24N4O3 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O3/c1-33-26-17-22(14-15-25(26)34-19-21-11-6-3-7-12-21)23-18-24(30-29-23)27(32)31-28-16-8-13-20-9-4-2-5-10-20/h2-18H,19H2,1H3,(H,29,30)(H,31,32)/b13-8+,28-16+
InChIKey
CFCFRXDZSTUINP-KNISEUQBSA-N
Synonyms
1285639-00-0
(E)3(4(benzyloxy)3methoxyphenyl)N((E)3phenylallylidene)1Hpyrazole5carbohydrazide
1285639000
3(3METHOXY4PHENYLMETHOXYPHENYL)N((E)((E)3PHENYLPROP2ENYLIDENE)AMINO)1HPYRAZOLE5CARBOXAMIDE
3(4(benzyloxy)3methoxyphenyl)N((1E2E)3phenylprop2en1ylidene)1Hpyrazole5carbohydrazide
COC1=C(C=CC(=C1)C2=NNC(=C2)C(=O)NN=CC=CC3=CC=CC=C3)OCC4=CC=CC=C4
COc1cc(ccc1OCc1ccccc1)c1n(nH)c(c1)C(=O)NN=CC=Cc1ccccc1
InChI=1SC27H24N4O3c133261722(141525(26)341921116371221)231824(302923)27(32)3128168132094251020h218H19H21H3(H2930)(H3132)b138+2816+
MFCD03663692
N((1E3E)4PHENYL1AZABUTA13DIENYL)(3(3METHOXY4(PHENYLMETHOXY)PHENYL)PYRAZOL5YL)CARBOXAMIDE
ZINC000009374677
ZINC38168541

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Available files

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