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New synthesis of a late-stage tetracyclic key intermediate of lumateperone

Mátyás Milen, Bálint Nyulasi, Tamás Nagy, Gyula Simig and Balázs Volk

Beilstein J. Org. Chem. 2022, 18, 653–659. https://doi.org/10.3762/bjoc.18.66

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Chemical structure C<sub>8</sub>H<sub>10</sub>O<sub>3</sub>S

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Extracted from

Scheme 4

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₈H₁₀O₃S
Molecular Weight	186.23 g/mol
Exact Mass	186.0351 Da
InChI	InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3
InChIKey	VUQUOGPMUUJORT-UHFFFAOYSA-N
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OC
Number of Atoms	22
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	10
XLogP	-0.1

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