Vitas-M small molecule compound

(3-chloro-6-fluoro-1-benzothiophen-2-yl)(4-ethylpiperazin-1-yl)methanone

Catalog ID
STK491902
SMILES CCN1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)F

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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 C15H16ClFN2OS MW 326.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16ClFN2OS/c1-2-18-5-7-19(8-6-18)15(20)14-13(16)11-4-3-10(17)9-12(11)21-14/h3-4,9H,2,5-8H2,1H3
InChIKey
BQDRSRMXJXUFIJ-UHFFFAOYSA-N
Synonyms

(3chloro6fluoro1benzothiophen2yl)(4ethylpiperazin1yl)methanone
3CHLORO6FLUOROBENZO(B)THIOPHEN2YL4ETHYLPIPERAZINYLKETONE
CCN1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl
InChI=1SC15H16ClFN2OSc12185719(8618)15(20)1413(16)114310(17)912(11)2114h349H258H21H3
MFCD09872932
ZINC000016602690
ZINC16602690

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Available files

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