Vitas-M small molecule compound

4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}-N-ethylpiperazine-1-carbothioamide

Catalog ID
STK032263
SMILES CCNC(=S)N1CCN(CC1)CCNC1=CC(=O)CC(C1)(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 C17H30N4OS MW 338.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H30N4OS/c1-4-18-16(23)21-9-7-20(8-10-21)6-5-19-14-11-15(22)13-17(2,3)12-14/h11,19H,4-10,12-13H2,1-3H3,(H,18,23)
InChIKey
QDYLFGBKICAAQS-UHFFFAOYSA-N
Synonyms

3((2(4((ETHYLAMINO)THIOXOMETHYL)PIPERAZINYL)ETHYL)AMINO)55DIMETHYLCYCLOHEX2EN1ONE
4(2((55DIMETHYL3OXO1CYCLOHEXEN1YL)AMINO)ETHYL)NETHYL1PIPERAZINECARBOTHIOAMIDE
4(2((55DIMETHYL3OXOCYCLOHEX1EN1YL)AMINO)ETHYL)NETHYLPIPERAZINE1CARBOTHIOAMIDE
4(2((55DIMETHYL3OXOCYCLOHEXEN1YL)AMINO)ETHYL)NETHYLPIPERAZINE1CARBOTHIOAMIDE
CCNC(=S)N1CCN(CC1)CCNC1=CC(=O)CC(C1)(C)C
CCNC(=S)N1CCN(CC1)CCNC2=CC(=O)CC(C2)(C)C
InChI=1SC17H30N4OSc141816(23)219720(81021)6519141115(22)1317(23)1214h1119H4101213H213H3(H1823)
MFCD03015887
STK032263
ZINC000100424278
ZINC100424278

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Available files

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