Vitas-M small molecule compound

[1-(ethylsulfonyl)piperidin-4-yl]{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methanone

Catalog ID
STK319505
SMILES CCS(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)C/C=C/c1ccccc1

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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 C21H31N3O3S MW 405.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N3O3S/c1-2-28(26,27)24-13-10-20(11-14-24)21(25)23-17-15-22(16-18-23)12-6-9-19-7-4-3-5-8-19/h3-9,20H,2,10-18H2,1H3/b9-6+
InChIKey
IZIPTCNTKDXJCT-RMKNXTFCSA-N
Synonyms

(1(ethylsulfonyl)piperidin4yl)(4((2E)3phenylprop2en1yl)piperazin1yl)methanone
(1ETHYLSULFONYLPIPERIDIN4YL)(4((E)3PHENYLPROP2ENYL)PIPERAZIN1YL)METHANONE
CCS(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)CC=Cc1ccccc1
CCS(=O)(=O)N1CCC(CC1)C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3
InChI=1SC21H31N3O3Sc1228(2627)24131020(111424)21(25)23171522(161823)1269197435819h3920H21018H21H3b96+
MFCD07403428
ZINC000020046459
ZINC20046459

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Available files

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