Vitas-M small molecule compound

2-[4-(2-chloro-1,1,1,3,3,3-hexafluoropropan-2-yl)-2,6-dinitrophenyl]-1,2-oxazinane

Catalog ID
STK792985
SMILES [O-][N+](=O)c1cc(cc(c1N1CCCCO1)[N+](=O)[O-])C(C(F)(F)F)(C(F)(F)F)Cl

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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 C13H10ClF6N3O5 MW 437.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10ClF6N3O5/c14-11(12(15,16)17,13(18,19)20)7-5-8(22(24)25)10(9(6-7)23(26)27)21-3-1-2-4-28-21/h5-6H,1-4H2
InChIKey
GZXZUKNZAAZDNI-UHFFFAOYSA-N
Synonyms
305865-50-3
(O)(N+)(=O)c1cc(cc(c1N1CCCCO1)(N+)(=O)(O))C(C(F)(F)F)(C(F)(F)F)Cl
2(4(2chloro111333hexafluoropropan2yl)26dinitrophenyl)12oxazinane
2(4(2chloro111333hexafluoropropan2yl)26dinitrophenyl)oxazinane
305865503
C1CCON(C1)C2=C(C=C(C=C2(N+)(=O)(O))C(C(F)(F)F)(C(F)(F)F)Cl)(N+)(=O)(O)
InChI=1SC13H10ClF6N3O5c1411(12(1516)1713(1819)20)758(22(24)25)10(9(67)23(26)27)2131242821h56H14H2
MFCD00357115
ZINC000013512217
ZINC13512217

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Available files

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