Vitas-M small molecule compound

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

Catalog ID
STK535161
SMILES COC(=O)C(C(F)(F)F)(c1ccc(cc1)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 C18H13Cl2F3N2O4S MW 481.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13Cl2F3N2O4S/c1-29-15(27)17(28,18(21,22)23)9-2-5-11(6-3-9)24-16(30)25-14(26)12-7-4-10(19)8-13(12)20/h2-8,28H,1H3,(H2,24,25,26,30)
InChIKey
CUJAEOZHRRBGHS-UHFFFAOYSA-N
Synonyms
373611-91-7
2(4(3(24DICHLOROBENZOYL)THIOUREIDO)PHENYL)333TRIFLUORO2HYDROXYPROPIONICACIDMETHYLESTER
373611917
COC(=O)C(C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl)(C(F)(F)F)O
InChI=1SC18H13Cl2F3N2O4Sc12915(27)17(2818(2122)23)92511(639)2416(30)2514(26)127410(19)813(12)20h2828H1H3(H224252630)
methyl2(4((((24dichlorophenyl)carbonyl)carbamothioyl)amino)phenyl)333trifluoro2hydroxypropanoate
METHYL2(4((24DICHLOROBENZOYL)CARBAMOTHIOYLAMINO)PHENYL)333TRIFLUORO2HYDROXYPROPANOATE
methyl2(4(3(24dichlorobenzoyl)thioureido)phenyl)333trifluoro2hydroxypropanoate
MFCD01947937
ZINC000002281162
ZINC000002281163

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Available files

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