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Vismodegib-[d4]

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General Information
Catalog: BLP-012657
CAS: 1450990-33-6
Molecular Formula: C19H10D4Cl2N2O3S
Molecular Weight: 425.32

Chemical Structure

Description	Vismodegib-[d4] is the labelled analogue of Vismodegib, which has been found to inhibit Hh signaling and could probably be effective in anticancer studies.
Synonyms	Vismodegib D4; 2-Chloro-N-[4-chloro-3-(2-pyridinyl)phenyl]-4-(methylsulfonyl)-benzamide-d4
IUPAC Name	2-chloro-N-[4-chloro-3-(3,4,5,6-tetradeuteriopyridin-2-yl)phenyl]-4-methylsulfonylbenzamide
Related CAS	879085-55-9 (unlabelled)
Canonical SMILES	CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl
InChI	InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)/i2D,3D,4D,9D
InChI Key	BPQMGSKTAYIVFO-CKSJCSQYSA-N
Purity	95% by HPLC; 98% atom D
Appearance	Solid