Vitas-M small molecule compound
5-ethyl-N-[(2S)-1-[(4-methoxyphenyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Catalog ID
STK616553
SMILES CSCC[C@@H](C(=O)Nc1ccc(cc1)OC)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 C25H27N3O6S MW 497.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O6S/c1-4-28-13-18(23(29)17-11-21-22(12-20(17)28)34-14-33-21)24(30)27-19(9-10-35-3)25(31)26-15-5-7-16(32-2)8-6-15/h5-8,11-13,19H,4,9-10,14H2,1-3H3,(H,26,31)(H,27,30)/t19-/m0/s1InChIKey
XRRWJWCSDFRSEN-IBGZPJMESA-NSynonyms
956690-42-9(S)5ethylN(1((4methoxyphenyl)amino)4(methylthio)1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1((4methoxyphenyl)amino)4(methylsulfanyl)1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1(4methoxyanilino)4methylsulfanyl1oxobutan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
956690429
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(CCSC)C(=O)NC4=CC=C(C=C4)OC
CSCC(C@@H)(C(=O)Nc1ccc(cc1)OC)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1
InChI=1SC25H27N3O6Sc14281318(23(29)17112122(1220(17)28)34143321)24(30)2719(910353)25(31)26155716(322)8615h58111319H491014H213H3(H2631)(H2730)t19m0s1
MFCD08293179
ZINC000009133904
ZINC09133904
ZINC9133904
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.