Vitas-M small molecule compound

1,4-diazepane-1,4-diylbis[(undecafluorocyclohexyl)methanone]

Catalog ID
STK420521
SMILES O=C(C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)N1CCCN(CC1)C(=O)C1(F)C(F)(F)C(F)(F)C(C(C1(F)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 C19H10F22N2O2 MW 716.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H10F22N2O2/c20-8(10(22,23)14(30,31)18(38,39)15(32,33)11(8,24)25)6(44)42-2-1-3-43(5-4-42)7(45)9(21)12(26,27)16(34,35)19(40,41)17(36,37)13(9,28)29/h1-5H2
InChIKey
ZOBRAFBWXIVGEK-UHFFFAOYSA-N
Synonyms
438455-04-0
(4(12233445566undecafluorocyclohexanecarbonyl)14diazepan1yl)(12233445566undecafluorocyclohexyl)methanone
14BIS((UNDECAFLUOROCYCLOHEXYL)CARBONYL)14DIAZEPANE
14diazepane14diylbis((undecafluorocyclohexyl)methanone)
438455040
C1CN(CCN(C1)C(=O)C2(C(C(C(C(C2(F)F)(F)F)(F)F)(F)F)(F)F)F)C(=O)C3(C(C(C(C(C3(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI=1SC19H10F22N2O2c208(10(2223)14(3031)18(3839)15(3233)11(824)25)6(44)4221343(5442)7(45)9(21)12(2627)16(3435)19(4041)17(3637)13(928)29h15H2
MFCD00301844
ZINC000008398244
ZINC08398244
ZINC8398244

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.