Vitas-M small molecule compound

N-{2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl}propanamide

Catalog ID
STK809448
SMILES CCC(=O)NC(C(Cl)(Cl)Cl)Nc1sc2c(c1C#N)CCCC2

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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 C14H16Cl3N3OS MW 380.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16Cl3N3OS/c1-2-11(21)19-13(14(15,16)17)20-12-9(7-18)8-5-3-4-6-10(8)22-12/h13,20H,2-6H2,1H3,(H,19,21)
InChIKey
XXMHIEXYFGCSMD-UHFFFAOYSA-N
Synonyms

CCC(=O)NC(C(Cl)(Cl)Cl)NC1=C(C2=C(S1)CCCC2)C#N
InChI=1SC14H16Cl3N3OSc1211(21)1913(14(1516)17)20129(718)8534610(8)2212h1320H26H21H3(H1921)
MFCD00696377
N(222trichloro1((3cyano4567tetrahydro1benzothiophen2yl)amino)ethyl)propanamide
ZINC000004348816
ZINC000004348817

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Available files

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