Vitas-M small molecule compound

(2E)-N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enamide

Catalog ID
STK042682
SMILES O=C(Nc1ccc(c(c1)C)C)/C=C/c1ccc(cc1)F

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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 C17H16FNO MW 269.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16FNO/c1-12-3-9-16(11-13(12)2)19-17(20)10-6-14-4-7-15(18)8-5-14/h3-11H,1-2H3,(H,19,20)/b10-6+
InChIKey
KDIHETJHSKHNNE-UXBLZVDNSA-N
Synonyms

(2E)N(34DIMETHYLPHENYL)3(4FLUOROPHENYL)PROP2ENAMIDE
(E)N(34DIMETHYLPHENYL)3(4FLUOROPHENYL)PROP2ENAMIDE
CC1=C(C=C(C=C1)NC(=O)C=CC2=CC=C(C=C2)F)C
InChI=1SC17H16FNOc1123916(1113(12)2)1917(20)106144715(18)8514h311H12H3(H1920)b106+
MFCD03268014
O=C(Nc1ccc(c(c1)C)C)C=Cc1ccc(cc1)F
STK042682
ZINC000000045987
ZINC00045987
ZINC45987

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Available files

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