Vitas-M small molecule compound
ethyl 2-({[1-(butanoylamino)-2,2,2-trichloroethyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK862063
SMILES CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1sc2c(c1C(=O)OCC)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 C18H24Cl3N3O3S2 MW 500.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24Cl3N3O3S2/c1-3-7-12(25)22-16(18(19,20)21)24-17(28)23-14-13(15(26)27-4-2)10-8-5-6-9-11(10)29-14/h16H,3-9H2,1-2H3,(H,22,25)(H2,23,24,28)InChIKey
KTWFDGRPDWAIKT-UHFFFAOYSA-NSynonyms
CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OCC
ethyl2(((1(butanoylamino)222trichloroethyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((1(butanoylamino)222trichloroethyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC18H24Cl3N3O3S2c13712(25)2216(18(1920)21)2417(28)231413(15(26)2742)10856911(10)2914h16H39H212H3(H2225)(H2232428)
MFCD00548687
ZINC000002682881
ZINC000002682882
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