Vitas-M small molecule compound

[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl][4-(2-chlorophenyl)piperazin-1-yl]methanone

Catalog ID
STK986403
SMILES Brc1ccc(cc1)n1nnc(c1C)C(=O)N1CCN(CC1)c1ccccc1Cl

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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 C20H19BrClN5O MW 460.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrClN5O/c1-14-19(23-24-27(14)16-8-6-15(21)7-9-16)20(28)26-12-10-25(11-13-26)18-5-3-2-4-17(18)22/h2-9H,10-13H2,1H3
InChIKey
FABFGESHKKKLOU-UHFFFAOYSA-N
Synonyms

(1(4bromophenyl)5methyl1H123triazol4yl)(4(2chlorophenyl)piperazin1yl)methanone
(1(4bromophenyl)5methyltriazol4yl)(4(2chlorophenyl)piperazin1yl)methanone
CC1=C(N=NN1C2=CC=C(C=C2)Br)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl
InChI=1SC20H19BrClN5Oc11419(232427(14)168615(21)7916)20(28)26121025(111326)18532417(18)22h29H1013H21H3
MFCD18183304
ZINC000051317468
ZINC51317468

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Available files

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