Vitas-M small molecule compound
ethyl 2-[(2,2,2-trichloro-1-{[(4-chlorophenoxy)acetyl]amino}ethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK701518
SMILES CCOC(=O)c1c(sc2c1CCCC2)NC(C(Cl)(Cl)Cl)NC(=O)COc1ccc(cc1)Cl
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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 C21H22Cl4N2O4S MW 540.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22Cl4N2O4S/c1-2-30-19(29)17-14-5-3-4-6-15(14)32-18(17)27-20(21(23,24)25)26-16(28)11-31-13-9-7-12(22)8-10-13/h7-10,20,27H,2-6,11H2,1H3,(H,26,28)InChIKey
XCPPSHFEFBTSPC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(C(Cl)(Cl)Cl)NC(=O)COC3=CC=C(C=C3)Cl
ethyl2((222trichloro1(((4chlorophenoxy)acetyl)amino)ethyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((222trichloro1((2(4chlorophenoxy)acetyl)amino)ethyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H22Cl4N2O4Sc123019(29)1714534615(14)3218(17)2720(21(2324)25)2616(28)1131139712(22)81013h7102027H2611H21H3(H2628)
MFCD03461503
ZINC000002507756
ZINC000002688272
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