Vitas-M small molecule compound
5-ethyl-N-{(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl}-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Catalog ID
STK602614
SMILES CCn1cc(C(=O)N[C@H](C(=O)NC(CO)(C)C)C(C)C)c(=O)c2c1cc1OCOc1c2
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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 C22H29N3O6 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O6/c1-6-25-9-14(19(27)13-7-16-17(8-15(13)25)31-11-30-16)20(28)23-18(12(2)3)21(29)24-22(4,5)10-26/h7-9,12,18,26H,6,10-11H2,1-5H3,(H,23,28)(H,24,29)/t18-/m0/s1InChIKey
DRXWLGVWIFPQCC-SFHVURJKSA-NSynonyms
1014064-89-1(S)5ethylN(1((1hydroxy2methylpropan2yl)amino)3methyl1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
1014064891
5ethylN((2S)1((1hydroxy2methylpropan2yl)amino)3methyl1oxobutan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1((1hydroxy2methylpropan2yl)amino)3methyl1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(C(C)C)C(=O)NC(C)(C)CO
CCn1cc(C(=O)N(C@H)(C(=O)NC(CO)(C)C)C(C)C)c(=O)c2c1cc1OCOc1c2
InChI=1SC22H29N3O6c1625914(19(27)1371617(815(13)25)31113016)20(28)2318(12(2)3)21(29)2422(45)1026h79121826H61011H215H3(H2328)(H2429)t18m0s1
MFCD08289920
ZINC000009410385
ZINC09410385
ZINC9410385
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.