Vitas-M small molecule compound
5-ethyl-N-[(2S)-4-(methylsulfanyl)-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Catalog ID
STK602008
SMILES CSCC[C@@H](C(=O)Nc1nccs1)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 C21H22N4O5S2 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5S2/c1-3-25-10-13(18(26)12-8-16-17(9-15(12)25)30-11-29-16)19(27)23-14(4-6-31-2)20(28)24-21-22-5-7-32-21/h5,7-10,14H,3-4,6,11H2,1-2H3,(H,23,27)(H,22,24,28)/t14-/m0/s1InChIKey
NCLYHWPELSQOBW-AWEZNQCLSA-NSynonyms
1014104-76-7(S)5ethylN(4(methylthio)1oxo1(thiazol2ylamino)butan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
1014104767
5ethylN((2S)4(methylsulfanyl)1oxo1(13thiazol2ylamino)butan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)4methylsulfanyl1oxo1(13thiazol2ylamino)butan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(CCSC)C(=O)NC4=NC=CS4
CSCC(C@@H)(C(=O)Nc1nccs1)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1
InChI=1SC21H22N4O5S2c13251013(18(26)1281617(915(12)25)30112916)19(27)2314(46312)20(28)242122573221h571014H34611H212H3(H2327)(H222428)t14m0s1
MFCD08291255
ZINC000013608646
ZINC13608646
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.