Vitas-M small molecule compound

N-[2-(2-methoxyphenoxy)ethyl]-2,6-dinitro-4-(trifluoromethyl)aniline

Catalog ID
STK042361
SMILES COc1ccccc1OCCNc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=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 C16H14F3N3O6 MW 401.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14F3N3O6/c1-27-13-4-2-3-5-14(13)28-7-6-20-15-11(21(23)24)8-10(16(17,18)19)9-12(15)22(25)26/h2-5,8-9,20H,6-7H2,1H3
InChIKey
DLCDTGRODLSQBI-UHFFFAOYSA-N
Synonyms

COC1=CC=CC=C1OCCNC2=C(C=C(C=C2(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
COc1ccccc1OCCNc1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
InChI=1SC16H14F3N3O6c12713423514(13)2876201511(21(23)24)810(16(1718)19)912(15)22(25)26h258920H67H21H3
MFCD02039806
N(2(2METHOXYPHENOXY)ETHYL)26DINITRO4(TRIFLUOROMETHYL)ANILINE
STK042361
ZINC000004499382
ZINC04499382
ZINC4499382

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Available files

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