Vitas-M small molecule compound
2-[(2-chloro-5-fluorophenyl)amino]-2-oxoethyl isoquinoline-1-carboxylate
Catalog ID
STL187021
SMILES O=C(Nc1cc(F)ccc1Cl)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 C18H12ClFN2O3 MW 358.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClFN2O3/c19-14-6-5-12(20)9-15(14)22-16(23)10-25-18(24)17-13-4-2-1-3-11(13)7-8-21-17/h1-9H,10H2,(H,22,23)InChIKey
CRWWLRBKZCIPMI-UHFFFAOYSA-NSynonyms
(2(2chloro5fluoroanilino)2oxoethyl)isoquinoline1carboxylate
2((2chloro5fluorophenyl)amino)2oxoethylisoquinoline1carboxylate
C1=CC=C2C(=C1)C=CN=C2C(=O)OCC(=O)NC3=C(C=CC(=C3)F)Cl
InChI=1SC18H12ClFN2O3c19146512(20)915(14)2216(23)102518(24)1713421311(13)782117h19H10H2(H2223)
MFCD22388028
ZINC000072330306
ZINC72330306
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