Vitas-M small molecule compound

N-[4-(butan-2-yl)phenyl]-4-(methylsulfonyl)piperazine-1-carbothioamide

Catalog ID
STK455593
SMILES CCC(c1ccc(cc1)NC(=S)N1CCN(CC1)S(=O)(=O)C)C

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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 C16H25N3O2S2 MW 355.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H25N3O2S2/c1-4-13(2)14-5-7-15(8-6-14)17-16(22)18-9-11-19(12-10-18)23(3,20)21/h5-8,13H,4,9-12H2,1-3H3,(H,17,22)
InChIKey
WLQQQONEWMDLIR-UHFFFAOYSA-N
Synonyms

4(((4(METHYLPROPYL)PHENYL)AMINO)THIOXOMETHYL)1(METHYLSULFONYL)PIPERAZINE
CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C
InChI=1SC16H25N3O2S2c1413(2)145715(8614)1716(22)1891119(121018)23(320)21h5813H4912H213H3(H1722)
MFCD04226931
N(4((2S)BUTAN2YL)PHENYL)4(METHYLSULFONYL)PIPERAZINE1CARBOTHIOAMIDE
N(4(butan2yl)phenyl)4(methylsulfonyl)piperazine1carbothioamide
N(4BUTAN2YLPHENYL)4METHYLSULFONYLPIPERAZINE1CARBOTHIOAMIDE
ZINC000002857846
ZINC000002857847

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Available files

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