Vitas-M small molecule compound

butyl 4-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]amino}benzoate

Catalog ID
STK949776
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)/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 C20H20FNO3 MW 341.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FNO3/c1-2-3-14-25-20(24)16-7-11-18(12-8-16)22-19(23)13-6-15-4-9-17(21)10-5-15/h4-13H,2-3,14H2,1H3,(H,22,23)/b13-6+
InChIKey
GTRQJXRXWJVEKC-AWNIVKPZSA-N
Synonyms

butyl4(((2E)3(4fluorophenyl)prop2enoyl)amino)benzoate
BUTYL4(((E)3(4FLUOROPHENYL)PROP2ENOYL)AMINO)BENZOATE
BUTYL4((2E)3(4FLUOROPHENYL)PROP2ENOYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC=C(C=C2)F
CCCCOC(=O)c1ccc(cc1)NC(=O)C=Cc1ccc(cc1)F
InChI=1SC20H20FNO3c123142520(24)1671118(12816)2219(23)136154917(21)10515h413H2314H21H3(H2223)b136+
MFCD02654166
ZINC000001801587
ZINC01801587
ZINC1801587

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Available files

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