Vitas-M small molecule compound

ethyl 2-[4-({[(2,4-dichlorophenyl)carbonyl]carbamothioyl}amino)-3-methoxyphenyl]-3,3,3-trifluoro-2-hydroxypropanoate

Catalog ID
STK535540
SMILES CCOC(=O)C(C(F)(F)F)(c1ccc(c(c1)OC)NC(=S)NC(=O)c1ccc(cc1Cl)Cl)O

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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 C20H17Cl2F3N2O5S MW 525.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2F3N2O5S/c1-3-32-17(29)19(30,20(23,24)25)10-4-7-14(15(8-10)31-2)26-18(33)27-16(28)12-6-5-11(21)9-13(12)22/h4-9,30H,3H2,1-2H3,(H2,26,27,28,33)
InChIKey
JQZJWUSLFIWFQF-UHFFFAOYSA-N
Synonyms
373369-38-1
373369381
CCOC(=O)C(C1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl)OC)(C(F)(F)F)O
ethyl2(4((((24dichlorophenyl)carbonyl)carbamothioyl)amino)3methoxyphenyl)333trifluoro2hydroxypropanoate
ETHYL2(4((24DICHLOROBENZOYL)CARBAMOTHIOYLAMINO)3METHOXYPHENYL)333TRIFLUORO2HYDROXYPROPANOATE
ethyl2(4(3(24dichlorobenzoyl)thioureido)3methoxyphenyl)333trifluoro2hydroxypropanoate
InChI=1SC20H17Cl2F3N2O5Sc133217(29)19(3020(2324)25)104714(15(810)312)2618(33)2716(28)126511(21)913(12)22h4930H3H212H3(H226272833)
MFCD01945804
ZINC000002279529
ZINC000002279530

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.