Vitas-M small molecule compound

(4-benzylpiperidin-1-yl)(3,4-dimethoxyphenyl)methanethione

Catalog ID
STL436435
SMILES COc1cc(ccc1OC)C(=S)N1CCC(CC1)Cc1ccccc1

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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 C21H25NO2S MW 355.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO2S/c1-23-19-9-8-18(15-20(19)24-2)21(25)22-12-10-17(11-13-22)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3
InChIKey
QNRSGVDACLVMHF-UHFFFAOYSA-N
Synonyms

(4benzylpiperidin1yl)(34dimethoxyphenyl)methanethione
COC1=C(C=C(C=C1)C(=S)N2CCC(CC2)CC3=CC=CC=C3)OC
InChI=1SC21H25NO2Sc123199818(1520(19)242)21(25)22121017(111322)14166435716h391517H1014H212H3
MFCD04212771
ZINC000002841143
ZINC02841143
ZINC2841143

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Available files

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