Vitas-M small molecule compound
5-ethyl-N-{(2S)-1-[(2-hydroxyethyl)(methyl)amino]-3-methyl-1-oxobutan-2-yl}-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Catalog ID
STL544510
SMILES OCCN(C(=O)[C@H](C(C)C)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1)C
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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 C21H27N3O6 MW 417.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O6/c1-5-24-10-14(19(26)13-8-16-17(9-15(13)24)30-11-29-16)20(27)22-18(12(2)3)21(28)23(4)6-7-25/h8-10,12,18,25H,5-7,11H2,1-4H3,(H,22,27)/t18-/m0/s1InChIKey
YXQSMONCIKCNFF-SFHVURJKSA-NSynonyms
956812-98-9(S)5ethylN(1((2hydroxyethyl)(methyl)amino)3methyl1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
16408165
5ethyl~(N)((2~(S))1(2hydroxyethyl(methyl)amino)3methyl1oxobutan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1((2hydroxyethyl)(methyl)amino)3methyl1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
956812989
InChI=1SC21H27N3O6c15241014(19(26)1381617(915(13)24)30112916)20(27)2218(12(2)3)21(28)23(4)6725h810121825H5711H214H3(H2227)t18m0s1
OCCN(C(=O)(C@H)(C(C)C)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1)C
ZINC000012894464
ZINC12894464
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