Vitas-M small molecule compound
2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl isoquinoline-1-carboxylate
Catalog ID
STL186945
SMILES O=C(Nc1cccc(c1)C(F)(F)F)COC(=O)c1nccc2c1cccc2
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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 C19H13F3N2O3 MW 374.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13F3N2O3/c20-19(21,22)13-5-3-6-14(10-13)24-16(25)11-27-18(26)17-15-7-2-1-4-12(15)8-9-23-17/h1-10H,11H2,(H,24,25)InChIKey
AEDPODYBPMPDCI-UHFFFAOYSA-NSynonyms
(2oxo2(3(trifluoromethyl)anilino)ethyl)isoquinoline1carboxylate
2oxo2((3(trifluoromethyl)phenyl)amino)ethylisoquinoline1carboxylate
C1=CC=C2C(=C1)C=CN=C2C(=O)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI=1SC19H13F3N2O3c2019(2122)1353614(1013)2416(25)112718(26)1715721412(15)892317h110H11H2(H2425)
MFCD22387952
ZINC000064875274
ZINC64875274
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