Vitas-M small molecule compound
3-methyl-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)benzamide
Catalog ID
STK808500
SMILES N#Cc1c(NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)c2cccc(c2)C)sc2c1CCCC2
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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 C20H19Cl3N4OS2 MW 501.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19Cl3N4OS2/c1-11-5-4-6-12(9-11)16(28)25-18(20(21,22)23)27-19(29)26-17-14(10-24)13-7-2-3-8-15(13)30-17/h4-6,9,18H,2-3,7-8H2,1H3,(H,25,28)(H2,26,27,29)InChIKey
DQSNGYQSAYNTIH-UHFFFAOYSA-NSynonyms
324017-89-2324017892
3methylN(222trichloro1(((3cyano4567tetrahydro1benzothiophen2yl)carbamothioyl)amino)ethyl)benzamide
3methylN(222trichloro1((3cyano4567tetrahydro1benzothiophen2yl)carbamothioylamino)ethyl)benzamide
CC1=CC=CC(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N
InChI=1SC20H19Cl3N4OS2c11154612(911)16(28)2518(20(2122)23)2719(29)261714(1024)13723815(13)3017h46918H2378H21H3(H2528)(H2262729)
MFCD00548613
ZINC000002706791
ZINC000002706793
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