Vitas-M small molecule compound

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

Catalog ID
STL436424
SMILES COc1cc(ccc1OC)C(=S)N1CCN(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 C20H24N2O2S MW 356.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O2S/c1-23-18-9-8-17(14-19(18)24-2)20(25)22-12-10-21(11-13-22)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3
InChIKey
CNHSDUCWKOTDFX-UHFFFAOYSA-N
Synonyms

(4benzylpiperazin1yl)(34dimethoxyphenyl)methanethione
COC1=C(C=C(C=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)OC
InChI=1SC20H24N2O2Sc123189817(1419(18)242)20(25)22121021(111322)15166435716h3914H101315H212H3
MFCD04584248
ZINC000019842142
ZINC19842142

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Available files

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