Vitas-M small molecule compound
ethyl 2-[(1-{[(4-bromophenyl)carbonyl]amino}-2,2,2-trichloroethyl)amino]-4-phenylthiophene-3-carboxylate
Catalog ID
STK862018
SMILES CCOC(=O)c1c(scc1c1ccccc1)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 C22H18BrCl3N2O3S MW 576.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrCl3N2O3S/c1-2-31-20(30)17-16(13-6-4-3-5-7-13)12-32-19(17)28-21(22(24,25)26)27-18(29)14-8-10-15(23)11-9-14/h3-12,21,28H,2H2,1H3,(H,27,29)InChIKey
XWACDQMFZYACHG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=C(C=C3)Br
ethyl2((1(((4bromophenyl)carbonyl)amino)222trichloroethyl)amino)4phenylthiophene3carboxylate
ETHYL2((1((4BROMOBENZOYL)AMINO)222TRICHLOROETHYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
InChI=1SC22H18BrCl3N2O3Sc123120(30)1716(136435713)123219(17)2821(22(2425)26)2718(29)1481015(23)11914h3122128H2H21H3(H2729)
MFCD00696382
ZINC000006599537
ZINC000006599551
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