Vitas-M small molecule compound

N-butyl-4-(2-methylbenzyl)piperazine-1-carbothioamide

Catalog ID
STK304767
SMILES CCCCNC(=S)N1CCN(CC1)Cc1ccccc1C

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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 C17H27N3S MW 305.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H27N3S/c1-3-4-9-18-17(21)20-12-10-19(11-13-20)14-16-8-6-5-7-15(16)2/h5-8H,3-4,9-14H2,1-2H3,(H,18,21)
InChIKey
AUNCMJGQEPGFKW-UHFFFAOYSA-N
Synonyms
827595-42-6
827595426
CCCCNC(=S)N1CCN(CC1)CC2=CC=CC=C2C
InChI=1SC17H27N3Sc13491817(21)20121019(111320)1416865715(16)2h58H34914H212H3(H1821)
MFCD05110312
Nbutyl4((2methylphenyl)methyl)piperazine1carbothioamide
Nbutyl4(2methylbenzyl)piperazine1carbothioamide
ZINC000020028542
ZINC20028542

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Available files

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