Vitas-M small molecule compound

5-[4-(4-nitrophenyl)piperazin-1-yl]-1,1-diphenylpent-3-yn-1-ol

Catalog ID
STL112729
SMILES OC(c1ccccc1)(c1ccccc1)CC#CCN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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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 C27H27N3O3 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3/c31-27(23-9-3-1-4-10-23,24-11-5-2-6-12-24)17-7-8-18-28-19-21-29(22-20-28)25-13-15-26(16-14-25)30(32)33/h1-6,9-16,31H,17-22H2
InChIKey
NMIOEOJJGGDRAI-UHFFFAOYSA-N
Synonyms

5(4(4nitrophenyl)piperazin1yl)11diphenylpent3yn1ol
C1CN(CCN1CC#CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC27H27N3O3c3127(239314102324115261224)17781828192129(222028)25131526(161425)30(32)33h1691631H1722H2
MFCD20746299
OC(c1ccccc1)(c1ccccc1)CC#CCN1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
ZINC000067319118
ZINC67319118

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Available files

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