Vitas-M small molecule compound

5-ethyl-N-{(2S)-1-[(3-hydroxypropyl)amino]-3-methyl-1-oxobutan-2-yl}-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide

Catalog ID
STK609432
SMILES OCCCNC(=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 C21H27N3O6 MW 417.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O6/c1-4-24-10-14(19(26)13-8-16-17(9-15(13)24)30-11-29-16)20(27)23-18(12(2)3)21(28)22-6-5-7-25/h8-10,12,18,25H,4-7,11H2,1-3H3,(H,22,28)(H,23,27)/t18-/m0/s1
InChIKey
NGCXAPVACAPWMO-SFHVURJKSA-N
Synonyms
1212274-20-8
(S)5ethylN(1((3hydroxypropyl)amino)3methyl1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
1212274208
5ethylN((2S)1((3hydroxypropyl)amino)3methyl1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ETHYLN((2S)1(3HYDROXYPROPYLAMINO)3METHYL1OXOBUTAN2YL)8OXO(13)DIOXOLO(45G)QUINOLINE7CARBOXAMIDE
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(C(C)C)C(=O)NCCCO
InChI=1SC21H27N3O6c14241014(19(26)1381617(915(13)24)30112916)20(27)2318(12(2)3)21(28)2265725h810121825H4711H213H3(H2228)(H2327)t18m0s1
MFCD08290736
OCCCNC(=O)(C@H)(C(C)C)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1
ZINC000006759542
ZINC06759542
ZINC6759542

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Available files

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