Vitas-M small molecule compound
{3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}propanedinitrile
Catalog ID
STK199920
SMILES N#CC(=Cc1ccc(c(c1)Cl)Oc1ccc(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 C17H7ClF3N3O3 MW 393.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H7ClF3N3O3/c18-13-6-10(5-11(8-22)9-23)1-3-15(13)27-16-4-2-12(17(19,20)21)7-14(16)24(25)26/h1-7HInChIKey
BHEWFDHIWPPCEN-UHFFFAOYSA-NSynonyms
((3CHLORO4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLENE)METHANE11DICARBONITRILE
(3CHLORO4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)BENZYLIDENE)PROPANEDINITRILE
2((3CHLORO4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)PROPANEDINITRILE
C1=CC(=C(C=C1C=C(C#N)C#N)Cl)OC2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O)
InChI=1SC17H7ClF3N3O3c1813610(511(822)923)1315(13)27164212(17(1920)21)714(16)24(25)26h17H
MFCD03547847
N#CC(=Cc1ccc(c(c1)Cl)Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)C#N
ZINC000004739421
ZINC04739421
ZINC4739421
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