Vortioxetine 3D structure

Vortioxetine (also called Lu AA21004, vortioxetina) has the formula C₁₈H₂₂N₂S and a molar mass of 298.4 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula: C₁₈H₂₂N₂S
Molar mass: 298.4 g/mol
PubChem CID: 9966051
Heavy atoms: 21
Category: Common drugs

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name	1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine
SMILES	`CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C`
PubChem CID	9966051
Other names	Lu AA21004, vortioxetina, vortioxetinum, Vortioxetine free base, VTX

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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