Vitas-M small molecule compound

methyl 1-{N-[(5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)carbonyl]-beta-alanyl}piperidine-4-carboxylate

Catalog ID
STK604524
SMILES COC(=O)C1CCN(CC1)C(=O)CCNC(=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 C23H27N3O7 MW 457.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O7/c1-3-25-12-16(21(28)15-10-18-19(11-17(15)25)33-13-32-18)22(29)24-7-4-20(27)26-8-5-14(6-9-26)23(30)31-2/h10-12,14H,3-9,13H2,1-2H3,(H,24,29)
InChIKey
OOSCSGKONVXUBW-UHFFFAOYSA-N
Synonyms
903200-12-4
903200124
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NCCC(=O)N4CCC(CC4)C(=O)OC
InChI=1SC23H27N3O7c13251216(21(28)15101819(1117(15)25)33133218)22(29)247420(27)268514(6926)23(30)312h101214H3913H212H3(H2429)
METHYL1(3(((5ETHYL8OXO58DIHYDRO(13)DIOXOLO(45G)QUINOLIN7YL)CARBONYL)AMINO)PROPANOYL)4PIPERIDINECARBOXYLATE
methyl1(3((5ethyl8oxo(13)dioxolo(45g)quinoline7carbonyl)amino)propanoyl)piperidine4carboxylate
methyl1(3(5ethyl8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamido)propanoyl)piperidine4carboxylate
methyl1(N((5ethyl8oxo58dihydro(13)dioxolo(45g)quinolin7yl)carbonyl)betaalanyl)piperidine4carboxylate
MFCD08291454
ZINC000013608745
ZINC13608745

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Available files

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