Vitas-M small molecule compound

benzene-1,3,5-triyltris{[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone}

Catalog ID
STK423480
SMILES O=C(c1cc(cc(c1)C(=O)N1CCN(CC1)c1cc(C)ccc1C)C(=O)N1CCN(CC1)c1cc(C)ccc1C)N1CCN(CC1)c1cc(C)ccc1C

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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 C45H54N6O3 MW 726.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H54N6O3/c1-31-7-10-34(4)40(25-31)46-13-19-49(20-14-46)43(52)37-28-38(44(53)50-21-15-47(16-22-50)41-26-32(2)8-11-35(41)5)30-39(29-37)45(54)51-23-17-48(18-24-51)42-27-33(3)9-12-36(42)6/h7-12,25-30H,13-24H2,1-6H3
InChIKey
XJFSQWZZNVNFPK-UHFFFAOYSA-N
Synonyms

(35BIS(4(25DIMETHYLPHENYL)PIPERAZINE1CARBONYL)PHENYL)(4(25DIMETHYLPHENYL)PIPERAZIN1YL)METHANONE
1(35BIS((4(25DIMETHYLPHENYL)1PIPERAZINYL)CARBONYL)BENZOYL)4(25DIMETHYLPHENYL)PIPERAZINE
35BIS((4(25DIMETHYLPHENYL)PIPERAZINYL)CARBONYL)PHENYL4(25DIMETHYLPHENYL)PIPERAZINYLKETONE
benzene135triyltris((4(25dimethylphenyl)piperazin1yl)methanone)
CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)C(=O)N4CCN(CC4)C5=C(C=CC(=C5)C)C)C(=O)N6CCN(CC6)C7=C(C=CC(=C7)C)C
InChI=1SC45H54N6O3c13171034(4)40(2531)46131949(201446)43(52)372838(44(53)50211547(162250)412632(2)81135(41)5)3039(2937)45(54)51231748(182451)422733(3)91236(42)6h7122530H1324H216H3
MFCD02177260
ZINC000008455795
ZINC08455795
ZINC8455795

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Available files

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