Vitas-M small molecule compound
ethyl 2-[({2,2,2-trichloro-1-[(phenylcarbonyl)amino]ethyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK809776
SMILES CCOC(=O)c1c(NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)c2ccccc2)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 C21H22Cl3N3O3S2 MW 534.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22Cl3N3O3S2/c1-2-30-18(29)15-13-10-6-7-11-14(13)32-17(15)26-20(31)27-19(21(22,23)24)25-16(28)12-8-4-3-5-9-12/h3-5,8-9,19H,2,6-7,10-11H2,1H3,(H,25,28)(H2,26,27,31)InChIKey
NBKGXRLXKZDJNV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=CC=C3
ethyl2(((222trichloro1((phenylcarbonyl)amino)ethyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((1benzamido222trichloroethyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H22Cl3N3O3S2c123018(29)151310671114(13)3217(15)2620(31)2719(21(2223)24)2516(28)128435912h358919H2671011H21H3(H2528)(H2262731)
MFCD00548654
ZINC000002688084
ZINC000002688086
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