Vitas-M small molecule compound

4-{[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}-1-(2-phenylethyl)piperazine-2,6-dione

Catalog ID
STL127439
SMILES Cc1ccc(cc1)n1nnc(c1)C(=O)N1CC(=O)N(C(=O)C1)CCc1ccccc1

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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 C22H21N5O3 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3/c1-16-7-9-18(10-8-16)27-13-19(23-24-27)22(30)25-14-20(28)26(21(29)15-25)12-11-17-5-3-2-4-6-17/h2-10,13H,11-12,14-15H2,1H3
InChIKey
CBYLZDKNXRSLTG-UHFFFAOYSA-N
Synonyms

4((1(4methylphenyl)1H123triazol4yl)carbonyl)1(2phenylethyl)piperazine26dione
4(1(4methylphenyl)triazole4carbonyl)1(2phenylethyl)piperazine26dione
CC1=CC=C(C=C1)N2C=C(N=N2)C(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4
InChI=1SC22H21N5O3c1167918(10816)271319(232427)22(30)251420(28)26(21(29)1525)1211175324617h21013H11121415H21H3
MFCD20740351
ZINC000067263001
ZINC67263001

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Available files

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