Vitas-M small molecule compound
2-[(3-fluorophenyl)amino]-2-oxoethyl isoquinoline-1-carboxylate
Catalog ID
STL187003
SMILES O=C(Nc1cccc(c1)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/c19-13-5-3-6-14(10-13)21-16(22)11-24-18(23)17-15-7-2-1-4-12(15)8-9-20-17/h1-10H,11H2,(H,21,22)InChIKey
UXZTTZXZDDABPO-UHFFFAOYSA-NSynonyms
(2(3fluoroanilino)2oxoethyl)isoquinoline1carboxylate
2((3fluorophenyl)amino)2oxoethylisoquinoline1carboxylate
C1=CC=C2C(=C1)C=CN=C2C(=O)OCC(=O)NC3=CC(=CC=C3)F
InChI=1SC18H13FN2O3c191353614(1013)2116(22)112418(23)1715721412(15)892017h110H11H2(H2122)
MFCD22388010
ZINC000064875520
ZINC64875520
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