Vitas-M small molecule compound
2-tert-butoxy-2-oxoethyl 2-(4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Catalog ID
STL104499
SMILES O=C(OC(C)(C)C)COC(=O)c1cn(c2ccc(cc2)C)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 C23H23NO5 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO5/c1-15-9-11-16(12-10-15)24-13-19(17-7-5-6-8-18(17)21(24)26)22(27)28-14-20(25)29-23(2,3)4/h5-13H,14H2,1-4H3InChIKey
AQEINNAGMNDEPX-UHFFFAOYSA-NSynonyms
1226455-67-9(2((2methylpropan2yl)oxy)2oxoethyl)2(4methylphenyl)1oxoisoquinoline4carboxylate
1226455679
2(TERTBUTOXY)2OXOETHYL1OXO2(PTOLYL)12DIHYDROISOQUINOLINE4CARBOXYLATE
2tertbutoxy2oxoethyl2(4methylphenyl)1oxo12dihydroisoquinoline4carboxylate
CC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC(=O)OC(C)(C)C
InChI=1SC23H23NO5c11591116(121015)241319(17756818(17)21(24)26)22(27)281420(25)2923(23)4h513H14H214H3
MFCD16639587
ZINC000044167236
ZINC44167236
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