Vitas-M small molecule compound

(4-cyclohexylpiperazin-1-yl)[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]methanone

Catalog ID
STL127422
SMILES O=C(c1nnn(c1)c1ccc(cc1)C)N1CCN(CC1)C1CCCCC1

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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 C20H27N5O MW 353.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O/c1-16-7-9-18(10-8-16)25-15-19(21-22-25)20(26)24-13-11-23(12-14-24)17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3
InChIKey
XVUDDIYOPWTNNS-UHFFFAOYSA-N
Synonyms
1326882-03-4
(4cyclohexylpiperazin1yl)(1(4methylphenyl)1H123triazol4yl)methanone
(4cyclohexylpiperazin1yl)(1(4methylphenyl)triazol4yl)methanone
1326882034
CC1=CC=C(C=C1)N2C=C(N=N2)C(=O)N3CCN(CC3)C4CCCCC4
InChI=1SC20H27N5Oc1167918(10816)251519(212225)20(26)24131123(121424)175324617h7101517H261114H21H3
MFCD20740335
ZINC000067262969
ZINC67262969

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Available files

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