Vitas-M small molecule compound

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][1-(ethylsulfonyl)piperidin-4-yl]methanone

Catalog ID
STK319485
SMILES CCS(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C20H29N3O5S MW 423.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29N3O5S/c1-2-29(25,26)23-7-5-17(6-8-23)20(24)22-11-9-21(10-12-22)14-16-3-4-18-19(13-16)28-15-27-18/h3-4,13,17H,2,5-12,14-15H2,1H3
InChIKey
ARAISMOLAQTGSZ-UHFFFAOYSA-N
Synonyms

(4(13benzodioxol5ylmethyl)piperazin1yl)(1(ethylsulfonyl)piperidin4yl)methanone
(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(1ETHYLSULFONYLPIPERIDIN4YL)METHANONE
CCS(=O)(=O)N1CCC(CC1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
InChI=1SC20H29N3O5Sc1229(2526)237517(6823)20(24)2211921(101222)1416341819(1316)28152718h341317H25121415H21H3
MFCD07403419
ZINC000020046444
ZINC20046444

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Available files

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