Vitas-M small molecule compound

5-{4-[(4-methylbenzyl)oxy]phenyl}-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-pyrazole-3-carbohydrazide

Catalog ID
STK588811
SMILES Cc1ccc(cc1)COc1ccc(cc1)c1[nH]nc(c1)C(=O)N/N=C/c1ccc(cc1)C(C)C

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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 C28H28N4O2 MW 452.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O2/c1-19(2)23-10-8-21(9-11-23)17-29-32-28(33)27-16-26(30-31-27)24-12-14-25(15-13-24)34-18-22-6-4-20(3)5-7-22/h4-17,19H,18H2,1-3H3,(H,30,31)(H,32,33)/b29-17+
InChIKey
KMEVMURBSIXTSA-STBIYBPSSA-N
Synonyms
1285540-74-0
(E)N(4isopropylbenzylidene)3(4((4methylbenzyl)oxy)phenyl)1Hpyrazole5carbohydrazide
1285540740
3(4((4METHYLPHENYL)METHOXY)PHENYL)N((E)(4PROPAN2YLPHENYL)METHYLIDENEAMINO)1HPYRAZOLE5CARBOXAMIDE
5(4((4methylbenzyl)oxy)phenyl)N((E)(4(propan2yl)phenyl)methylidene)1Hpyrazole3carbohydrazide
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)NN=CC4=CC=C(C=C4)C(C)C
Cc1ccc(cc1)COc1ccc(cc1)c1(nH)nc(c1)C(=O)NN=Cc1ccc(cc1)C(C)C
Cc1ccc(cc1)COc1ccc(cc1)c1n(nH)c(c1)C(=O)NN=Cc1ccc(cc1)C(C)C
InChI=1SC28H28N4O2c119(2)2310821(91123)17293228(33)271626(303127)24121425(151324)3418226420(3)5722h41719H18H213H3(H3031)(H3233)b2917+
MFCD07198330
N((1E)2(4(METHYLETHYL)PHENYL)1AZAVINYL)(3(4((4METHYLPHENYL)METHOXY)PHENYL)PYRAZOL5YL)CARBOXAMIDE
ZINC000009374586
ZINC33363281

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Available files

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