Vitas-M small molecule compound

5-ethyl-N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide

Catalog ID
STK616749
SMILES CSCC[C@@H](C(=O)NC(CO)(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 C22H29N3O6S MW 463.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O6S/c1-5-25-10-14(19(27)13-8-17-18(9-16(13)25)31-12-30-17)20(28)23-15(6-7-32-4)21(29)24-22(2,3)11-26/h8-10,15,26H,5-7,11-12H2,1-4H3,(H,23,28)(H,24,29)/t15-/m0/s1
InChIKey
HRKUMXSAOCWEJJ-HNNXBMFYSA-N
Synonyms
956971-73-6
(S)5ethylN(1((1hydroxy2methylpropan2yl)amino)4(methylthio)1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1((1hydroxy2methylpropan2yl)amino)4(methylsulfanyl)1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1((1hydroxy2methylpropan2yl)amino)4methylsulfanyl1oxobutan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
956971736
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(CCSC)C(=O)NC(C)(C)CO
CSCC(C@@H)(C(=O)NC(CO)(C)C)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1
InChI=1SC22H29N3O6Sc15251014(19(27)1381718(916(13)25)31123017)20(28)2315(67324)21(29)2422(23)1126h8101526H571112H214H3(H2328)(H2429)t15m0s1
MFCD08290168
ZINC000009410456
ZINC09410456
ZINC9410456

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.