Vitas-M small molecule compound
2-tert-butoxy-2-oxoethyl 2-(3-chlorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Catalog ID
STL104557
SMILES O=C(OC(C)(C)C)COC(=O)c1cn(c2cccc(c2)Cl)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 C22H20ClNO5 MW 413.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClNO5/c1-22(2,3)29-19(25)13-28-21(27)18-12-24(15-8-6-7-14(23)11-15)20(26)17-10-5-4-9-16(17)18/h4-12H,13H2,1-3H3InChIKey
KDXWBSUYGOSMPH-UHFFFAOYSA-NSynonyms
1226444-65-0(2((2methylpropan2yl)oxy)2oxoethyl)2(3chlorophenyl)1oxoisoquinoline4carboxylate
1226444650
2(TERTBUTOXY)2OXOETHYL2(3CHLOROPHENYL)1OXO12DIHYDROISOQUINOLINE4CARBOXYLATE
2tertbutoxy2oxoethyl2(3chlorophenyl)1oxo12dihydroisoquinoline4carboxylate
CC(C)(C)OC(=O)COC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC(=CC=C3)Cl
InChI=1SC22H20ClNO5c122(23)2919(25)132821(27)181224(1586714(23)1115)20(26)171054916(17)18h412H13H213H3
MFCD16640025
ZINC000044168188
ZINC44168188
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