Vitas-M small molecule compound

2,3,3-trichloroprop-2-en-1-yl 5-{[3,5-bis(trifluoromethyl)phenyl]amino}-5-oxopentanoate

Catalog ID
STK499581
SMILES O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CCCC(=O)OCC(=C(Cl)Cl)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 C16H12Cl3F6NO3 MW 486.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12Cl3F6NO3/c17-11(14(18)19)7-29-13(28)3-1-2-12(27)26-10-5-8(15(20,21)22)4-9(6-10)16(23,24)25/h4-6H,1-3,7H2,(H,26,27)
InChIKey
UIRYUPABBKPXHF-UHFFFAOYSA-N
Synonyms

233trichloroprop2en1yl5((35bis(trifluoromethyl)phenyl)amino)5oxopentanoate
233TRICHLOROPROP2ENYL4(N(35BIS(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)BUTANOATE
233TRICHLOROPROP2ENYL5(35BIS(TRIFLUOROMETHYL)ANILINO)5OXOPENTANOATE
C1=C(C=C(C=C1C(F)(F)F)NC(=O)CCCC(=O)OCC(=C(Cl)Cl)Cl)C(F)(F)F
InChI=1SC16H12Cl3F6NO3c1711(14(18)19)72913(28)31212(27)261058(15(2021)22)49(610)16(2324)25h46H137H2(H2627)
MFCD01892016
ZINC000008781086
ZINC08781086
ZINC8781086

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Available files

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