Vitas-M small molecule compound
5-ethyl-N-{(2S)-1-[(3-methoxypropyl)amino]-3-methyl-1-oxobutan-2-yl}-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Catalog ID
STK611567
SMILES COCCCNC(=O)[C@H](C(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 C22H29N3O6 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O6/c1-5-25-11-15(20(26)14-9-17-18(10-16(14)25)31-12-30-17)21(27)24-19(13(2)3)22(28)23-7-6-8-29-4/h9-11,13,19H,5-8,12H2,1-4H3,(H,23,28)(H,24,27)/t19-/m0/s1InChIKey
XBMMBMOOBWUAAB-IBGZPJMESA-NSynonyms
956953-05-2(S)5ethylN(1((3methoxypropyl)amino)3methyl1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1((3methoxypropyl)amino)3methyl1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1(3methoxypropylamino)3methyl1oxobutan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
956953052
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(C(C)C)C(=O)NCCCOC
COCCCNC(=O)(C@H)(C(C)C)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1
InChI=1SC22H29N3O6c15251115(20(26)1491718(1016(14)25)31123017)21(27)2419(13(2)3)22(28)23768294h9111319H5812H214H3(H2328)(H2427)t19m0s1
MFCD08290143
ZINC000009410448
ZINC09410448
ZINC9410448
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