Vitas-M small molecule compound
3-{[3-(trifluoromethyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK475013
SMILES O=C(C1C2CCC(C1C(=O)O)O2)Nc1cccc(c1)C(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 C15H14F3NO4 MW 329.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14F3NO4/c16-15(17,18)7-2-1-3-8(6-7)19-13(20)11-9-4-5-10(23-9)12(11)14(21)22/h1-3,6,9-12H,4-5H2,(H,19,20)(H,21,22)InChIKey
ADFBGRDZUXKUKP-UHFFFAOYSA-NSynonyms
2((3(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3((3(trifluoromethyl)phenyl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
3(N(3(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
C1CC2C(C(C1O2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O
InChI=1SC15H14F3NO4c1615(1718)72138(67)1913(20)1194510(239)12(11)14(21)22h136912H45H2(H1920)(H2122)
MFCD07593471
ZINC000168190564
ZINC000238997293
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