Vitas-M small molecule compound

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

Catalog ID
STL127471
SMILES O=C(c1nnn(c1)c1ccc(c(c1)C)C)N1CCN(CC1)c1ccccc1C

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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 C22H25N5O MW 375.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O/c1-16-8-9-19(14-18(16)3)27-15-20(23-24-27)22(28)26-12-10-25(11-13-26)21-7-5-4-6-17(21)2/h4-9,14-15H,10-13H2,1-3H3
InChIKey
AHHSXGAIOKNTRU-UHFFFAOYSA-N
Synonyms
1326819-96-8
(1(34dimethylphenyl)1H123triazol4yl)(4(2methylphenyl)piperazin1yl)methanone
(1(34dimethylphenyl)triazol4yl)(4(2methylphenyl)piperazin1yl)methanone
1326819968
CC1=C(C=C(C=C1)N2C=C(N=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4C)C
InChI=1SC22H25N5Oc1168919(1418(16)3)271520(232427)22(28)26121025(111326)21754617(21)2h491415H1013H213H3
MFCD20740381
ZINC000067263089
ZINC67263089

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Available files

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