Vitas-M small molecule compound

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

Catalog ID
STK809757
SMILES COc1ccc(cc1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)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 C20H19Cl3N4O2S2 MW 517.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19Cl3N4O2S2/c1-29-12-8-6-11(7-9-12)16(28)25-18(20(21,22)23)27-19(30)26-17-14(10-24)13-4-2-3-5-15(13)31-17/h6-9,18H,2-5H2,1H3,(H,25,28)(H2,26,27,30)
InChIKey
CRLCLLSRECJGPO-UHFFFAOYSA-N
Synonyms

4methoxyN(222trichloro1(((3cyano4567tetrahydro1benzothiophen2yl)carbamothioyl)amino)ethyl)benzamide
4methoxyN(222trichloro1((3cyano4567tetrahydro1benzothiophen2yl)carbamothioylamino)ethyl)benzamide
COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N
InChI=1SC20H19Cl3N4O2S2c129128611(7912)16(28)2518(20(2122)23)2719(30)261714(1024)13423515(13)3117h6918H25H21H3(H2528)(H2262730)
MFCD00548601
ZINC000001050761
ZINC000001050763

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Available files

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