Vitas-M small molecule compound
N-[(2S)-1-{[3-(dimethylamino)propyl]amino}-4-(methylsulfanyl)-1-oxobutan-2-yl]-5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Catalog ID
STL011018
SMILES CSCC[C@@H](C(=O)NCCCN(C)C)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 C23H32N4O5S MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N4O5S/c1-5-27-13-16(21(28)15-11-19-20(12-18(15)27)32-14-31-19)22(29)25-17(7-10-33-4)23(30)24-8-6-9-26(2)3/h11-13,17H,5-10,14H2,1-4H3,(H,24,30)(H,25,29)/t17-/m0/s1InChIKey
BVZOAGRUKKDNTI-KRWDZBQOSA-NSynonyms
956951-83-0(S)N(1((3(dimethylamino)propyl)amino)4(methylthio)1oxobutan2yl)5ethyl8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
956951830
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(CCSC)C(=O)NCCCN(C)C
CSCC(C@@H)(C(=O)NCCCN(C)C)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1
InChI=1SC23H32N4O5Sc15271316(21(28)15111920(1218(15)27)32143119)22(29)2517(710334)23(30)2486926(2)3h111317H51014H214H3(H2430)(H2529)t17m0s1
N((2S)1((3(DIMETHYLAMINO)PROPYL)AMINO)4(METHYLSULFANYL)1OXOBUTAN2YL)5ETHYL8OXO58DIHYDRO(13)DIOXOLO(45G)QUINOLINE7CARBOXAMIDE
N((2S)1(3(dimethylamino)propylamino)4methylsulfanyl1oxobutan2yl)5ethyl8oxo(13)dioxolo(45g)quinoline7carboxamide
ZINC000008879170
ZINC8879170
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.