Vitas-M small molecule compound
2-[(4-fluorophenyl)amino]-2-oxoethyl isoquinoline-1-carboxylate
Catalog ID
STL186969
SMILES O=C(Nc1ccc(cc1)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 C18H13FN2O3 MW 324.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13FN2O3/c19-13-5-7-14(8-6-13)21-16(22)11-24-18(23)17-15-4-2-1-3-12(15)9-10-20-17/h1-10H,11H2,(H,21,22)InChIKey
IMCZJYIKGDKRIH-UHFFFAOYSA-NSynonyms
(2(4fluoroanilino)2oxoethyl)isoquinoline1carboxylate
2((4fluorophenyl)amino)2oxoethylisoquinoline1carboxylate
C1=CC=C2C(=C1)C=CN=C2C(=O)OCC(=O)NC3=CC=C(C=C3)F
InChI=1SC18H13FN2O3c19135714(8613)2116(22)112418(23)1715421312(15)9102017h110H11H2(H2122)
MFCD22387976
ZINC000064875134
ZINC64875134
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