Vitas-M small molecule compound

ethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate

Catalog ID
STL043136
SMILES CCOP(=O)(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])[O-]

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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 C9H7F3N2O7P MW 343.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8F3N2O7P/c1-2-21-22(19,20)8-6(13(15)16)3-5(9(10,11)12)4-7(8)14(17)18/h3-4H,2H2,1H3,(H,19,20)/p-1
InChIKey
JAUGLYAOKLBEGF-UHFFFAOYSA-M
Synonyms

(26DINITRO4(TRIFLUOROMETHYL)PHENYL)ETHOXYPHOSPHINATE
(NH3+)c1ccccc1CCOP(=O)(c1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))(O)
benzenaminiumethyl(26dinitro4(trifluoromethyl)phenyl)phosphonate
CCOP(=O)(C1=C(C=C(C=C1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))(O)
CCOP(=O)(c1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))(O)
ethyl(26dinitro4(trifluoromethyl)phenyl)phosphonate
InChI=1SC9H8F3N2O7Pc122122(1920)86(13(15)16)35(9(1011)12)47(8)14(17)18h34H2H21H3(H1920)p1
ZINC000003122146
ZINC03122146
ZINC13739076

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Available files

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