Vitas-M small molecule compound
5-ethyl-N-((2S,3S)-1-((4-hydroxyphenethyl)amino)-3-methyl-1-oxopentan-2-yl)-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Catalog ID
STL533852
SMILES CCC([C@@H](C(=O)NCCc1ccc(cc1)O)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1)C
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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/c1-4-16(3)24(27(34)28-11-10-17-6-8-18(31)9-7-17)29-26(33)20-14-30(5-2)21-13-23-22(35-15-36-23)12-19(21)25(20)32/h6-9,12-14,16,24,31H,4-5,10-11,15H2,1-3H3,(H,28,34)(H,29,33)/t16?,24-/m0/s1InChIKey
DGOHQDPXUVXKBO-ODOSRFNGSA-NSynonyms
956971-05-416407291
5ethyl~(N)((2~(S))1(2(4hydroxyphenyl)ethylamino)3methyl1oxopentan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S3S)1((4hydroxyphenethyl)amino)3methyl1oxopentan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
956971054
CCC((C@@H)(C(=O)NCCc1ccc(cc1)O)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1)C
InChI=1SC27H31N3O6c1416(3)24(27(34)281110176818(31)9717)2926(33)201430(52)21132322(35153623)1219(21)25(20)32h691214162431H45101115H213H3(H2834)(H2933)t16?24m0s1
MFCD10487894
ZINC000008878472
ZINC000012891118
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