Vitas-M small molecule compound

(2E)-3-(4-nitrophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide

Catalog ID
STK959167
SMILES O=C(Nc1cc(OCC(F)(F)F)cc(c1)OCC(C(F)F)(F)F)/C=C/c1ccc(cc1)[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 C20H15F7N2O5 MW 496.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15F7N2O5/c21-18(22)19(23,24)10-33-15-7-13(8-16(9-15)34-11-20(25,26)27)28-17(30)6-3-12-1-4-14(5-2-12)29(31)32/h1-9,18H,10-11H2,(H,28,30)/b6-3+
InChIKey
AVFBAAFKJKLQSQ-ZZXKWVIFSA-N
Synonyms
514799-96-3
(2E)3(4nitrophenyl)N(3(2233tetrafluoropropoxy)5(222trifluoroethoxy)phenyl)prop2enamide
(E)3(4nitrophenyl)N(3(2233tetrafluoropropoxy)5(222trifluoroethoxy)phenyl)prop2enamide
514799963
C1=CC(=CC=C1C=CC(=O)NC2=CC(=CC(=C2)OCC(F)(F)F)OCC(C(F)F)(F)F)(N+)(=O)(O)
InChI=1SC20H15F7N2O5c2118(22)19(2324)103315713(816(915)341120(2526)27)2817(30)63121414(5212)29(31)32h1918H1011H2(H2830)b63+
MFCD02055403
O=C(Nc1cc(OCC(F)(F)F)cc(c1)OCC(C(F)F)(F)F)C=Cc1ccc(cc1)(N+)(=O)(O)
ZINC000002754375
ZINC02754375
ZINC2754375

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Available files

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