Vitas-M small molecule compound
5-ethyl-N-[(2S)-1-{[2-(4-hydroxyphenyl)ethyl]amino}-4-methyl-1-oxopentan-2-yl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Catalog ID
STL534157
SMILES CCn1cc(C(=O)N[C@H](C(=O)NCCc2ccc(cc2)O)CC(C)C)c(=O)c2c1cc1OCOc1c2
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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 C27H31N3O6 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O6/c1-4-30-14-20(25(32)19-12-23-24(13-22(19)30)36-15-35-23)26(33)29-21(11-16(2)3)27(34)28-10-9-17-5-7-18(31)8-6-17/h5-8,12-14,16,21,31H,4,9-11,15H2,1-3H3,(H,28,34)(H,29,33)/t21-/m0/s1InChIKey
KQCURNADTKUHDC-NRFANRHFSA-NSynonyms
956940-65-1(S)5ethylN(1((4hydroxyphenethyl)amino)4methyl1oxopentan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
16407413
5ethyl~(N)((2~(S))1(2(4hydroxyphenyl)ethylamino)4methyl1oxopentan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1((2(4hydroxyphenyl)ethyl)amino)4methyl1oxopentan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
956940651
CCn1cc(C(=O)N(C@H)(C(=O)NCCc2ccc(cc2)O)CC(C)C)c(=O)c2c1cc1OCOc1c2
InChI=1SC27H31N3O6c14301420(25(32)19122324(1322(19)30)36153523)26(33)2921(1116(2)3)27(34)28109175718(31)8617h581214162131H491115H213H3(H2834)(H2933)t21m0s1
ZINC000008878781
ZINC8878781
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