Vitas-M small molecule compound

2-butanoyl-5-[2-(ethylsulfanyl)propyl]-3-(piperidin-1-yl)cyclohex-2-en-1-one

Catalog ID
STL026554
SMILES CCSC(CC1CC(=O)C(=C(C1)N1CCCCC1)C(=O)CCC)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 C20H33NO2S MW 351.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H33NO2S/c1-4-9-18(22)20-17(21-10-7-6-8-11-21)13-16(14-19(20)23)12-15(3)24-5-2/h15-16H,4-14H2,1-3H3
InChIKey
QHILPRCSCDGDBR-UHFFFAOYSA-N
Synonyms
369608-95-7
(5R)2BUTANOYL5((2R)2(ETHYLSULFANYL)PROPYL)3(PIPERIDIN1YL)CYCLOHEX2EN1ONE
(5R)2BUTANOYL5((2S)2(ETHYLSULFANYL)PROPYL)3(PIPERIDIN1YL)CYCLOHEX2EN1ONE
(5S)2BUTANOYL5((2R)2(ETHYLSULFANYL)PROPYL)3(PIPERIDIN1YL)CYCLOHEX2EN1ONE
2butanoyl5(2(ethylsulfanyl)propyl)3(piperidin1yl)cyclohex2en1one
2BUTANOYL5(2ETHYLSULFANYLPROPYL)3PIPERIDIN1YLCYCLOHEX2EN1ONE
2BUTYRYL5(2(ETHYLSULFANYL)PROPYL)3(1PIPERIDINYL)2CYCLOHEXEN1ONE
2butyryl5(2(ethylthio)propyl)3(piperidin1yl)cyclohex2enone
2CYCLOHEXENONE5(2ETHYLTHIO)PROPYL2(1OXOBUTYL)3(1PIPERIDINYL)
369608957
CCCC(=O)C1=C(CC(CC1=O)CC(C)SCC)N2CCCCC2
InChI=1SC20H33NO2Sc14918(22)2017(21107681121)1316(1419(20)23)1215(3)2452h1516H414H213H3
MFCD00517616
ZINC000001234033
ZINC000002239722

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Available files

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