Vitas-M small molecule compound

1-benzyl-4-{[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl}piperazine

Catalog ID
STK134227
SMILES Clc1ccc(c(c1)Cl)c1[nH]ncc1CN1CCN(CC1)Cc1ccccc1

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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 C21H22Cl2N4 MW 401.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22Cl2N4/c22-18-6-7-19(20(23)12-18)21-17(13-24-25-21)15-27-10-8-26(9-11-27)14-16-4-2-1-3-5-16/h1-7,12-13H,8-11,14-15H2,(H,24,25)
InChIKey
KHIZKGVOOUEFIX-UHFFFAOYSA-N
Synonyms

1BENZYL4((5(24DICHLOROPHENYL)1HPYRAZOL4YL)METHYL)PIPERAZINE
C1CN(CCN1CC2=CC=CC=C2)CC3=C(NN=C3)C4=C(C=C(C=C4)Cl)Cl
Clc1ccc(c(c1)Cl)c1(nH)ncc1CN1CCN(CC1)Cc1ccccc1
InChI=1SC21H22Cl2N4c22186719(20(23)1218)2117(13242521)152710826(91127)14164213516h171213H8111415H2(H2425)
MFCD08673649
ZINC000019362896
ZINC19362896

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Available files

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