Analyte Name

Sodium (Z)-2-(2-Amino-5-fluorophenyl)-3-(4-((2-(dimethylamino)ethyl)carbamoyl)-3,5-dimethyl-1H-pyrrol-2-yl)acrylate

Molecular Formula

C20 H24 F N4 Na O3

Molecular Weight

410.418

Accurate Mass

410.173

SMILES

CN(C)CCNC(=O)c1c(C)[nH]c(\C=C(/C(=O)O[Na])\c2cc(F)ccc2N)c1C

InChI

InChI=1S/C20H25FN4O3.Na/c1-11-17(24-12(2)18(11)19(26)23-7-8-25(3)4)10-15(20(27)28)14-9-13(21)5-6-16(14)22;/h5-6,9-10,24H,7-8,22H2,1-4H3,(H,23,26)(H,27,28);/q;+1/p-1/b15-10-;

IUPAC

[(Z)-2-(2-amino-5-fluorophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]prop-2-enoyl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat