Vitas-M small molecule compound
5-ethyl-N-[(2S)-1-{[2-(1H-imidazol-4-yl)ethyl]amino}-4-(methylsulfanyl)-1-oxobutan-2-yl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Catalog ID
STL010133
SMILES CSCC[C@@H](C(=O)NCCc1c[nH]cn1)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 C23H27N5O5S MW 485.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O5S/c1-3-28-11-16(21(29)15-8-19-20(9-18(15)28)33-13-32-19)22(30)27-17(5-7-34-2)23(31)25-6-4-14-10-24-12-26-14/h8-12,17H,3-7,13H2,1-2H3,(H,24,26)(H,25,31)(H,27,30)/t17-/m0/s1InChIKey
SJDASYRZDFRJHW-KRWDZBQOSA-NSynonyms
957003-76-8(S)N(1((2(1Himidazol4yl)ethyl)amino)4(methylthio)1oxobutan2yl)5ethyl8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ETHYLN((2S)1((2(1HIMIDAZOL4YL)ETHYL)AMINO)4(METHYLSULFANYL)1OXOBUTAN2YL)8OXO58DIHYDRO(13)DIOXOLO(45G)QUINOLINE7CARBOXAMIDE
5ethylN((2S)1(2(1Himidazol5yl)ethylamino)4methylsulfanyl1oxobutan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
957003768
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(CCSC)C(=O)NCCC4=CN=CN4
CSCC(C@@H)(C(=O)NCCc1c(nH)cn1)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1
InChI=1SC23H27N5O5Sc13281116(21(29)1581920(918(15)28)33133219)22(30)2717(57342)23(31)2564141024122614h81217H3713H212H3(H2426)(H2531)(H2730)t17m0s1
ZINC000008791888
ZINC08791888
ZINC8791888
Check stock
See real-time availability and sample size for STL010133 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.