Vitas-M small molecule compound
2-tert-butoxy-2-oxoethyl 2-(4-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Catalog ID
STL104551
SMILES O=C(OC(C)(C)C)COC(=O)c1cn(c2ccc(cc2)F)c(=O)c2c1cccc2
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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 C22H20FNO5 MW 397.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FNO5/c1-22(2,3)29-19(25)13-28-21(27)18-12-24(15-10-8-14(23)9-11-15)20(26)17-7-5-4-6-16(17)18/h4-12H,13H2,1-3H3InChIKey
KRYHRLHUUQOBBX-UHFFFAOYSA-NSynonyms
1029776-57-5(2((2methylpropan2yl)oxy)2oxoethyl)2(4fluorophenyl)1oxoisoquinoline4carboxylate
1029776575
2tertbutoxy2oxoethyl2(4fluorophenyl)1oxo12dihydroisoquinoline4carboxylate
CC(C)(C)OC(=O)COC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)F
InChI=1SC22H20FNO5c122(23)2919(25)132821(27)181224(1510814(23)91115)20(26)17754616(17)18h412H13H213H3
MFCD15135810
ZINC000021360168
ZINC21360168
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