Vitas-M small molecule compound
1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]azepan-2-one
Catalog ID
STK673151
SMILES O=C1CCCCCN1C(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)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 C12H10F11NO MW 393.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10F11NO/c13-9(14,12(21,22)23)8(7(10(15,16)17)11(18,19)20)24-5-3-1-2-4-6(24)25/h1-5H2InChIKey
DCAUMFLZGNQRRN-UHFFFAOYSA-NSynonyms
160892-46-61(11144555octafluoro2(trifluoromethyl)pent2en3yl)azepan2one
160892466
C1CCC(=O)N(CC1)C(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(F)F
InChI=1SC12H10F11NOc139(1412(2122)23)8(7(10(1516)17)11(1819)20)24531246(24)25h15H2
MFCD01113288
ZINC000098002570
ZINC98002570
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