Vitas-M small molecule compound
(2E)-1-(1,3-benzodioxol-5-yl)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}prop-2-en-1-one
Catalog ID
STK902315
SMILES Clc1ccc(c(c1)C(F)(F)F)N/C=C/C(=O)c1ccc2c(c1)OCO2
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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 C17H11ClF3NO3 MW 369.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11ClF3NO3/c18-11-2-3-13(12(8-11)17(19,20)21)22-6-5-14(23)10-1-4-15-16(7-10)25-9-24-15/h1-8,22H,9H2/b6-5+InChIKey
VGJLOQYOFKQQNY-AATRIKPKSA-NSynonyms
(2E)1(13benzodioxol5yl)3((4chloro2(trifluoromethyl)phenyl)amino)prop2en1one
(E)1(13benzodioxol5yl)3(4chloro2(trifluoromethyl)anilino)prop2en1one
C1OC2=C(O1)C=C(C=C2)C(=O)C=CNC3=C(C=C(C=C3)Cl)C(F)(F)F
Clc1ccc(c(c1)C(F)(F)F)NC=CC(=O)c1ccc2c(c1)OCO2
InChI=1SC17H11ClF3NO3c18112313(12(811)17(1920)21)226514(23)10141516(710)2592415h1822H9H2b65+
MFCD18174841
ZINC000044842817
ZINC44842817
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