| SpectraBase Spectrum ID |
EBFlth0TWLF |
| Name |
5-(4,4,-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2-H-BENZO-[D]-[1.3]-OXAZIN-6-YL)-1-(2-FLUOROETHYL)-1-H-PYRROLE-2-CARBONITRILE |
| Compound Number |
5A |
| Copyright |
Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C17H16FN3OS |
| InChI |
InChI=1S/C17H16FN3OS/c1-17(2)13-9-11(3-5-14(13)20-16(23)22-17)15-6-4-12(10-19)21(15)8-7-18/h3-6,9H,7-8H2,1-2H3,(H,20,23) |
| InChIKey |
AEEPPOVMRCWFEH-UHFFFAOYSA-N |
| Literature Reference Author |
H.B.ZHOU,J.H.LEE,C.G.MAYNE,K.E.CARLSON,J.A.KATZENELLENBOGEN |
| Literature Reference Citation |
J.MED.CHEM.,53,3349(2010) |
| Literature Reference DOI |
10.1021/jm100052k |
| Solvent |
ACETONE-D6 |
| Source File Reference |
UWMZ46390 |
![5-(4,4,-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2-H-BENZO-[D]-[1.3]-OXAZIN-6-YL)-1-(2-FLUOROETHYL)-1-H-PYRROLE-2-CARBONITRILE](/api/spectrum/EBFlth0TWLF/structure.png?h=300&w=458 "5-(4,4,-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2-H-BENZO-[D]-[1.3]-OXAZIN-6-YL)-1-(2-FLUOROETHYL)-1-H-PYRROLE-2-CARBONITRILE")
