Vitas-M small molecule compound

{5-bromo-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}propanedinitrile

Catalog ID
STK138913
SMILES N#CC(=Cc1cc(Br)ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C#N

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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 C17H7BrF3N3O3 MW 438.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H7BrF3N3O3/c18-13-2-4-15(11(6-13)5-10(8-22)9-23)27-16-3-1-12(17(19,20)21)7-14(16)24(25)26/h1-7H
InChIKey
BPBLYYSCQBZRAO-UHFFFAOYSA-N
Synonyms

((5BROMO2(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)PROPANEDINITRILE
(5BROMO2(2NITRO4(TRIFLUOROMETHYL)PHENOXY)BENZYLIDENE)PROPANEDINITRILE
2((5BROMO2(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)PROPANEDINITRILE
C1=CC(=C(C=C1C(F)(F)F)(N+)(=O)(O))OC2=C(C=C(C=C2)Br)C=C(C#N)C#N
InChI=1SC17H7BrF3N3O3c18132415(11(613)510(822)923)27163112(17(1920)21)714(16)24(25)26h17H
MFCD05134599
N#CC(=Cc1cc(Br)ccc1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)C#N
ZINC000009234349
ZINC09234349
ZINC9234349

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Available files

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