Vitas-M small molecule compound

N'-{(E)-[1-(4-chlorobenzyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-hydroxynaphthalene-1-carbohydrazide

Catalog ID
STK481654
SMILES COc1cc(ccc1OC)c1nn(cc1/C=N/NC(=O)c1c(O)ccc2c1cccc2)Cc1ccc(cc1)Cl

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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 C30H25ClN4O4 MW 541.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN4O4/c1-38-26-14-10-21(15-27(26)39-2)29-22(18-35(34-29)17-19-7-11-23(31)12-8-19)16-32-33-30(37)28-24-6-4-3-5-20(24)9-13-25(28)36/h3-16,18,36H,17H2,1-2H3,(H,33,37)/b32-16+
InChIKey
VUBTWFODNMVNIG-KPGMTVGESA-N
Synonyms

COC1=C(C=C(C=C1)C2=NN(C=C2C=NNC(=O)C3=C(C=CC4=CC=CC=C43)O)CC5=CC=C(C=C5)Cl)OC
COc1cc(ccc1OC)c1nn(cc1C=NNC(=O)c1c(O)ccc2c1cccc2)Cc1ccc(cc1)Cl
InChI=1SC30H25ClN4O4c13826141021(1527(26)392)2922(1835(3429)171971123(31)12819)16323330(37)2824643520(24)91325(28)36h3161836H17H212H3(H3337)b3216+
MFCD08569775
N((1E)2(3(34DIMETHOXYPHENYL)1((4CHLOROPHENYL)METHYL)PYRAZOL4YL)1AZAVINYL)(2HYDROXYNAPHTHYL)CARBOXAMIDE
N((E)(1((4chlorophenyl)methyl)3(34dimethoxyphenyl)pyrazol4yl)methylideneamino)2hydroxynaphthalene1carboxamide
N((E)(1(4chlorobenzyl)3(34dimethoxyphenyl)1Hpyrazol4yl)methylidene)2hydroxynaphthalene1carbohydrazide
ZINC000097965883
ZINC102364175

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Available files

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