Vitas-M small molecule compound
5-ethyl-N-[(2S)-1-[(3-hydroxypropyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Catalog ID
STK613486
SMILES CSCC[C@@H](C(=O)NCCCO)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 C21H27N3O6S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O6S/c1-3-24-11-14(19(26)13-9-17-18(10-16(13)24)30-12-29-17)20(27)23-15(5-8-31-2)21(28)22-6-4-7-25/h9-11,15,25H,3-8,12H2,1-2H3,(H,22,28)(H,23,27)/t15-/m0/s1InChIKey
WCZJKPYVAFLRFU-HNNXBMFYSA-NSynonyms
1013754-30-7(S)5ethylN(1((3hydroxypropyl)amino)4(methylthio)1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
1013754307
5ethylN((2S)1((3hydroxypropyl)amino)4(methylsulfanyl)1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1(3hydroxypropylamino)4methylsulfanyl1oxobutan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(CCSC)C(=O)NCCCO
CSCC(C@@H)(C(=O)NCCCO)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1
InChI=1SC21H27N3O6Sc13241114(19(26)1391718(1016(13)24)30122917)20(27)2315(58312)21(28)2264725h9111525H3812H212H3(H2228)(H2327)t15m0s1
MFCD08290705
ZINC000009410638
ZINC09410638
ZINC9410638
Check stock
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Check stock on Vitas-MAvailable files
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