Vitas-M small molecule compound

3-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-N'-[(E)-thiophen-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide

Catalog ID
STK106298
SMILES COc1cc(ccc1OCc1ccc(cc1)C)c1n[nH]c(c1)C(=O)N/N=C/c1cccs1

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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 C24H22N4O3S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O3S/c1-16-5-7-17(8-6-16)15-31-22-10-9-18(12-23(22)30-2)20-13-21(27-26-20)24(29)28-25-14-19-4-3-11-32-19/h3-14H,15H2,1-2H3,(H,26,27)(H,28,29)/b25-14+
InChIKey
IJDKXZIOBASZTB-AFUMVMLFSA-N
Synonyms
700357-30-8
(E)3(3methoxy4((4methylbenzyl)oxy)phenyl)N(thiophen2ylmethylene)1Hpyrazole5carbohydrazide
3(3METHOXY4((4METHYLBENZYL)OXY)PHENYL)N((E)THIOPHEN2YLMETHYLIDENE)1HPYRAZOLE5CARBOHYDRAZIDE
3(3METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)N((E)THIOPHEN2YLMETHYLIDENEAMINO)1HPYRAZOLE5CARBOXAMIDE
700357308
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=NNC(=C3)C(=O)NN=CC4=CC=CS4)OC
COc1cc(ccc1OCc1ccc(cc1)C)c1n(nH)c(c1)C(=O)NN=Cc1cccs1
InChI=1SC24H22N4O3Sc1165717(8616)15312210918(1223(22)302)201321(272620)24(29)2825141943113219h314H15H212H3(H2627)(H2829)b2514+
MFCD02932181
N((1E)2(2THIENYL)1AZAVINYL)(3(3METHOXY4((4METHYLPHENYL)METHOXY)PHENYL)PYRAZOL5YL)CARBOXAMIDE
ZINC000009375308
ZINC33329894

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Available files

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