Vitas-M small molecule compound
3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK430367
SMILES O=C(C1C2C=CC(C1C(=O)O)O2)Nc1cc(ccc1Cl)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 C15H11ClF3NO4 MW 361.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11ClF3NO4/c16-7-2-1-6(15(17,18)19)5-8(7)20-13(21)11-9-3-4-10(24-9)12(11)14(22)23/h1-5,9-12H,(H,20,21)(H,22,23)InChIKey
CDXZRWCETYMXEM-UHFFFAOYSA-NSynonyms
2((2CHLORO5(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((2chloro5(trifluoromethyl)phenyl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
3(N(2CHLORO5(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
C1=CC2C(C(C1O2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)O
InChI=1SC15H11ClF3NO4c167216(15(1718)19)58(7)2013(21)1193410(249)12(11)14(22)23h15912H(H2021)(H2223)
MFCD01822130
ZINC000225645113
ZINC000239030654
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