Vitas-M small molecule compound

[4-(3,4-dichlorobenzyl)piperazin-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Catalog ID
STL175100
SMILES O=C(c1cc2c(s1)CCCC2)N1CCN(CC1)Cc1ccc(c(c1)Cl)Cl

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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 C20H22Cl2N2OS MW 409.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22Cl2N2OS/c21-16-6-5-14(11-17(16)22)13-23-7-9-24(10-8-23)20(25)19-12-15-3-1-2-4-18(15)26-19/h5-6,11-12H,1-4,7-10,13H2
InChIKey
UPCADWRIZVYLTB-UHFFFAOYSA-N
Synonyms
938000-95-4
(4((34dichlorophenyl)methyl)piperazin1yl)(4567tetrahydro1benzothiophen2yl)methanone
(4(34dichlorobenzyl)piperazin1yl)(4567tetrahydro1benzothiophen2yl)methanone
938000954
C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)CC4=CC(=C(C=C4)Cl)Cl
InChI=1SC20H22Cl2N2OSc21166514(1117(16)22)13237924(10823)20(25)191215312418(15)2619h561112H1471013H2
MFCD08558007
ZINC000020606739
ZINC20606739

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Available files

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