Vitas-M small molecule compound

(2E)-3-[2-(2-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(phenylsulfonyl)prop-2-enenitrile

Catalog ID
STK799691
SMILES N#C/C(=C\c1c(Oc2ccccc2F)nc2n(c1=O)cccc2)/S(=O)(=O)c1ccccc1

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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 C23H14FN3O4S MW 447.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14FN3O4S/c24-19-10-4-5-11-20(19)31-22-18(23(28)27-13-7-6-12-21(27)26-22)14-17(15-25)32(29,30)16-8-2-1-3-9-16/h1-14H/b17-14+
InChIKey
DVHJRZOPQVSIOU-SAPNQHFASA-N
Synonyms
620107-86-0
(2E)3(2(2fluorophenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2(phenylsulfonyl)prop2enenitrile
(E)2(BENZENESULFONYL)3(2(2FLUOROPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)PROP2ENENITRILE
(E)3(2(2fluorophenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)2(phenylsulfonyl)acrylonitrile
620107860
C1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)OC4=CC=CC=C4F)C#N
InChI=1SC23H14FN3O4Sc241910451120(19)312218(23(28)2713761221(27)2622)1417(1525)32(2930)168213916h114Hb1714+
MFCD04187185
N#CC(=Cc1c(Oc2ccccc2F)nc2n(c1=O)cccc2)S(=O)(=O)c1ccccc1
ZINC000001133005
ZINC1133005

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Available files

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