Vitas-M small molecule compound

3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-phenylmethylidene]-1H-pyrazole-5-carbohydrazide

Catalog ID
STK101674
SMILES COc1cc(ccc1OCc1ccc(cc1)C)c1n[nH]c(c1)C(=O)N/N=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 C26H24N4O3 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O3/c1-18-8-10-20(11-9-18)17-33-24-13-12-21(14-25(24)32-2)22-15-23(29-28-22)26(31)30-27-16-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,28,29)(H,30,31)/b27-16+
InChIKey
CORFCGCRBHUXAT-JVWAILMASA-N
Synonyms
1284272-40-7
(E)Nbenzylidene3(3methoxy4((4methylbenzyl)oxy)phenyl)1Hpyrazole5carbohydrazide
1284272407
3(3METHOXY4((4METHYLBENZYL)OXY)PHENYL)N((E)PHENYLMETHYLIDENE)1HPYRAZOLE5CARBOHYDRAZIDE
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=NNC(=C3)C(=O)NN=CC4=CC=CC=C4)OC
COc1cc(ccc1OCc1ccc(cc1)C)c1n(nH)c(c1)C(=O)NN=Cc1ccccc1
InChI=1SC26H24N4O3c11881020(11918)173324131221(1425(24)322)221523(292822)26(31)302716196435719h316H17H212H3(H2829)(H3031)b2716+
MFCD03664588
N((1E)2PHENYL1AZAVINYL)(3(3METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)PYRAZOL5YL)CARBOXAMIDE
N((E)BENZYLIDENEAMINO)3(3METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)1HPYRAZOLE5CARBOXAMIDE
ZINC000018148618
ZINC33340678

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Available files

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