Vitas-M small molecule compound
2-[(3-cyanophenyl)amino]-2-oxoethyl isoquinoline-1-carboxylate
Catalog ID
STL187015
SMILES N#Cc1cccc(c1)NC(=O)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 C19H13N3O3 MW 331.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O3/c20-11-13-4-3-6-15(10-13)22-17(23)12-25-19(24)18-16-7-2-1-5-14(16)8-9-21-18/h1-10H,12H2,(H,22,23)InChIKey
XUJMONKKSKIZKC-UHFFFAOYSA-NSynonyms
(2(3cyanoanilino)2oxoethyl)isoquinoline1carboxylate
2((3cyanophenyl)amino)2oxoethylisoquinoline1carboxylate
C1=CC=C2C(=C1)C=CN=C2C(=O)OCC(=O)NC3=CC=CC(=C3)C#N
InChI=1SC19H13N3O3c20111343615(1013)2217(23)122519(24)1816721514(16)892118h110H12H2(H2223)
MFCD22388022
ZINC000064875254
ZINC64875254
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