Vitas-M small molecule compound

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

Catalog ID
STK618725
SMILES CCn1cc(C(=O)N[C@H](C(=O)N2CCN(CC2)C(=O)OCC)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 C23H28N4O7 MW 472.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O7/c1-4-25-12-16(20(28)15-10-18-19(11-17(15)25)34-13-33-18)21(29)24-14(3)22(30)26-6-8-27(9-7-26)23(31)32-5-2/h10-12,14H,4-9,13H2,1-3H3,(H,24,29)/t14-/m0/s1
InChIKey
YNSCMTIKWAXLQC-AWEZNQCLSA-N
Synonyms
956922-98-8
(S)ethyl4(2(5ethyl8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamido)propanoyl)piperazine1carboxylate
956922988
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(C)C(=O)N4CCN(CC4)C(=O)OCC
CCn1cc(C(=O)N(C@H)(C(=O)N2CCN(CC2)C(=O)OCC)C)c(=O)c2c1cc1OCOc1c2
ethyl4((2S)2((5ethyl8oxo(13)dioxolo(45g)quinoline7carbonyl)amino)propanoyl)piperazine1carboxylate
ethyl4(N((5ethyl8oxo58dihydro(13)dioxolo(45g)quinolin7yl)carbonyl)Lalanyl)piperazine1carboxylate
InChI=1SC23H28N4O7c14251216(20(28)15101819(1117(15)25)34133318)21(29)2414(3)22(30)266827(9726)23(31)3252h101214H4913H213H3(H2429)t14m0s1
MFCD08745820
ZINC000009184441
ZINC09184441
ZINC9184441

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.