Vitas-M small molecule compound
3-{[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK467610
SMILES O=C(C1C2C=CC(C1C(=O)O)O2)Nc1cc(OCC(C(F)F)(F)F)cc(c1)OCC(F)(F)F
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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 C19H16F7NO6 MW 487.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16F7NO6/c20-17(21)18(22,23)6-31-9-3-8(4-10(5-9)32-7-19(24,25)26)27-15(28)13-11-1-2-12(33-11)14(13)16(29)30/h1-5,11-14,17H,6-7H2,(H,27,28)(H,29,30)InChIKey
YCVXBBKFPLJMEB-UHFFFAOYSA-NSynonyms
2((3(2233tetrafluoropropoxy)5(222trifluoroethoxy)phenyl)carbamoyl)7oxabicyclo(221)hept5ene3carboxylicacid
3((3(2233tetrafluoropropoxy)5(222trifluoroethoxy)phenyl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
C1=CC2C(C(C1O2)C(=O)NC3=CC(=CC(=C3)OCC(F)(F)F)OCC(C(F)F)(F)F)C(=O)O
InChI=1SC19H16F7NO6c2017(21)18(2223)631938(410(59)32719(2425)26)2715(28)13111212(3311)14(13)16(29)30h15111417H67H2(H2728)(H2930)
MFCD06064909
ZINC000225750819
ZINC000239248127
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