Vitas-M small molecule compound

(4-ethylpiperazin-1-yl)(4-{[(4-methylphenyl)sulfanyl]methyl}phenyl)methanone

Catalog ID
STL087206
SMILES CCN1CCN(CC1)C(=O)c1ccc(cc1)CSc1ccc(cc1)C

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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 C21H26N2OS MW 354.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2OS/c1-3-22-12-14-23(15-13-22)21(24)19-8-6-18(7-9-19)16-25-20-10-4-17(2)5-11-20/h4-11H,3,12-16H2,1-2H3
InChIKey
JDHQMNQTFMMAOM-UHFFFAOYSA-N
Synonyms

(4ethylpiperazin1yl)(4(((4methylphenyl)sulfanyl)methyl)phenyl)methanone
(4ETHYLPIPERAZIN1YL)(4((4METHYLPHENYL)SULFANYLMETHYL)PHENYL)METHANONE
1ETHYL4(4(((4METHYLPHENYL)THIO)METHYL)BENZOYL)PIPERAZINE
CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)C
InChI=1SC21H26N2OSc1322121423(151322)21(24)198618(7919)16252010417(2)51120h411H31216H212H3
MFCD05835753
ZINC000001063962
ZINC1063962

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Available files

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