Vitas-M small molecule compound
(2E)-4-{[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]amino}-4-oxobut-2-enoic acid
Catalog ID
STL019804
SMILES FC(C(Oc1ccc(cc1)NC(=O)/C=C/C(=O)O)(F)F)Cl
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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 C12H9ClF3NO4 MW 323.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9ClF3NO4/c13-11(14)12(15,16)21-8-3-1-7(2-4-8)17-9(18)5-6-10(19)20/h1-6,11H,(H,17,18)(H,19,20)/b6-5+InChIKey
GYQQNDDALGSLMJ-AATRIKPKSA-NSynonyms
(2E)4((4(2chloro112trifluoroethoxy)phenyl)amino)4oxobut2enoicacid
(E)4(4(2chloro112trifluoroethoxy)anilino)4oxobut2enoicacid
C1=CC(=CC=C1NC(=O)C=CC(=O)O)OC(C(F)Cl)(F)F
FC(C(Oc1ccc(cc1)NC(=O)C=CC(=O)O)(F)F)Cl
InChI=1SC12H9ClF3NO4c1311(14)12(1516)218317(248)179(18)5610(19)20h1611H(H1718)(H1920)b65+
MFCD18187180
ZINC000036067641
ZINC000036067642
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