Vitas-M small molecule compound
5-ethyl-N-[(2S)-1-{[2-(4-hydroxyphenyl)ethyl]amino}-4-(methylsulfanyl)-1-oxobutan-2-yl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Catalog ID
STL534407
SMILES CSCC[C@@H](C(=O)NCCc1ccc(cc1)O)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1
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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 C26H29N3O6S MW 511.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O6S/c1-3-29-14-19(24(31)18-12-22-23(13-21(18)29)35-15-34-22)25(32)28-20(9-11-36-2)26(33)27-10-8-16-4-6-17(30)7-5-16/h4-7,12-14,20,30H,3,8-11,15H2,1-2H3,(H,27,33)(H,28,32)/t20-/m0/s1InChIKey
NUCUFXJQMPVBSL-FQEVSTJZSA-NSynonyms
956928-58-8(S)5ethylN(1((4hydroxyphenethyl)amino)4(methylthio)1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
16407473
5ethyl~(N)((2~(S))1(2(4hydroxyphenyl)ethylamino)4methylsulfanyl1oxobutan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1((2(4hydroxyphenyl)ethyl)amino)4(methylsulfanyl)1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
956928588
CSCC(C@@H)(C(=O)NCCc1ccc(cc1)O)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1
InChI=1SC26H29N3O6Sc13291419(24(31)18122223(1321(18)29)35153422)25(32)2820(911362)26(33)27108164617(30)7516h4712142030H381115H212H3(H2733)(H2832)t20m0s1
ZINC000008878963
ZINC8878963
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