Vitas-M small molecule compound
ethyl 5-acetyl-2-[(1-{[(2-bromophenyl)carbonyl]amino}-2,2,2-trichloroethyl)amino]-4-methylthiophene-3-carboxylate
Catalog ID
STK701617
SMILES CCOC(=O)c1c(NC(C(Cl)(Cl)Cl)NC(=O)c2ccccc2Br)sc(c1C)C(=O)C
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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 C19H18BrCl3N2O4S MW 556.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrCl3N2O4S/c1-4-29-17(28)13-9(2)14(10(3)26)30-16(13)25-18(19(21,22)23)24-15(27)11-7-5-6-8-12(11)20/h5-8,18,25H,4H2,1-3H3,(H,24,27)InChIKey
QAEJFSBGXOHWTN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2Br
ethyl5acetyl2((1(((2bromophenyl)carbonyl)amino)222trichloroethyl)amino)4methylthiophene3carboxylate
ETHYL5ACETYL2((1((2BROMOBENZOYL)AMINO)222TRICHLOROETHYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC19H18BrCl3N2O4Sc142917(28)139(2)14(10(3)26)3016(13)2518(19(2122)23)2415(27)11756812(11)20h581825H4H213H3(H2427)
MFCD03461555
ZINC000002507769
ZINC000002688626
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