Vitas-M small molecule compound

methyl 3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-[(thiophen-2-ylcarbonyl)amino]propanoate

Catalog ID
STK555867
SMILES COC(=O)C(C(F)(F)F)(C1=C(O)CC(CC1=O)(C)C)NC(=O)c1cccs1

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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 C17H18F3NO5S MW 405.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18F3NO5S/c1-15(2)7-9(22)12(10(23)8-15)16(14(25)26-3,17(18,19)20)21-13(24)11-5-4-6-27-11/h4-6,22H,7-8H2,1-3H3,(H,21,24)
InChIKey
OUJBCSAFUZEXMG-UHFFFAOYSA-N
Synonyms
606924-07-6
606924076
CC1(CC(=C(C(=O)C1)C(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=CS2)O)C
InChI=1SC17H18F3NO5Sc115(2)79(22)12(10(23)815)16(14(25)26317(1819)20)2113(24)115462711h4622H78H213H3(H2124)
methyl333trifluoro2(2hydroxy44dimethyl6oxocyclohex1en1yl)2((thiophen2ylcarbonyl)amino)propanoate
methyl333trifluoro2(2hydroxy44dimethyl6oxocyclohex1en1yl)2(thiophene2carboxamido)propanoate
METHYL333TRIFLUORO2(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)2(THIOPHENE2CARBONYLAMINO)PROPANOATE
MFCD03941103
ZINC000002486878
ZINC000002486880

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Available files

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