Vitas-M small molecule compound
2-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK685359
SMILES OC(=O)C1C2C=CC3(C1C(=O)N(C3)c1cc(ccc1Cl)C(F)(F)F)O2
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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 C16H11ClF3NO4 MW 373.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClF3NO4/c17-8-2-1-7(16(18,19)20)5-9(8)21-6-15-4-3-10(25-15)11(14(23)24)12(15)13(21)22/h1-5,10-12H,6H2,(H,23,24)InChIKey
LTNZXUDWGSHFCN-UHFFFAOYSA-NSynonyms
2(2chloro5(trifluoromethyl)phenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
C1C23C=CC(O2)C(C3C(=O)N1C4=C(C=CC(=C4)C(F)(F)F)Cl)C(=O)O
InChI=1SC16H11ClF3NO4c178217(16(1819)20)59(8)216154310(2515)11(14(23)24)12(15)13(21)22h151012H6H2(H2324)
MFCD09029042
ZINC000100018623
ZINC000239339155
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