Vitas-M small molecule compound
ethyl 2-[(1-{[(4-bromophenyl)carbonyl]amino}-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK862007
SMILES CCOC(=O)c1c(sc2c1CCCC2)NC(C(Cl)(Cl)Cl)NC(=O)c1ccc(cc1)Br
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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 C20H20BrCl3N2O3S MW 554.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrCl3N2O3S/c1-2-29-18(28)15-13-5-3-4-6-14(13)30-17(15)26-19(20(22,23)24)25-16(27)11-7-9-12(21)10-8-11/h7-10,19,26H,2-6H2,1H3,(H,25,27)InChIKey
WHJYNQOBAUFZSR-UHFFFAOYSA-NSynonyms
302823-80-9302823809
CCOC(=O)C1=C(SC2=C1CCCC2)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=C(C=C3)Br
ethyl2((1(((4bromophenyl)carbonyl)amino)222trichloroethyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((1((4bromobenzoyl)amino)222trichloroethyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H20BrCl3N2O3Sc122918(28)1513534614(13)3017(15)2619(20(2223)24)2516(27)117912(21)10811h7101926H26H21H3(H2527)
MFCD00696404
ZINC000002071615
ZINC000002071616
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