Vitas-M small molecule compound

2-{[1-(acetylamino)-2,2,2-trichloroethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK821146
SMILES CC(=O)NC(C(Cl)(Cl)Cl)Nc1sc2c(c1C(=O)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 C13H16Cl3N3O2S MW 384.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16Cl3N3O2S/c1-6(20)18-12(13(14,15)16)19-11-9(10(17)21)7-4-2-3-5-8(7)22-11/h12,19H,2-5H2,1H3,(H2,17,21)(H,18,20)
InChIKey
PSEFISGMWKEZPY-UHFFFAOYSA-N
Synonyms

2((1(acetylamino)222trichloroethyl)amino)4567tetrahydro1benzothiophene3carboxamide
2((1acetamido222trichloroethyl)amino)4567tetrahydro1benzothiophene3carboxamide
CC(=O)NC(C(Cl)(Cl)Cl)NC1=C(C2=C(S1)CCCC2)C(=O)N
InChI=1SC13H16Cl3N3O2Sc16(20)1812(13(1415)16)19119(10(17)21)742358(7)2211h1219H25H21H3(H21721)(H1820)
MFCD00749759
ZINC000000677380
ZINC000000677381

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Available files

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