Vitas-M small molecule compound

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

Catalog ID
STK610612
SMILES CCn1cc(C(=O)N[C@H](C(=O)N2CCC(CC2)C(=O)OCC)C(C)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 C26H33N3O7 MW 499.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O7/c1-5-28-13-18(23(30)17-11-20-21(12-19(17)28)36-14-35-20)24(31)27-22(15(3)4)25(32)29-9-7-16(8-10-29)26(33)34-6-2/h11-13,15-16,22H,5-10,14H2,1-4H3,(H,27,31)/t22-/m0/s1
InChIKey
QBSHHXVCHTUMKJ-QFIPXVFZSA-N
Synonyms
1014086-25-9
(S)ethyl1(2(5ethyl8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamido)3methylbutanoyl)piperidine4carboxylate
1014086259
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(C(C)C)C(=O)N4CCC(CC4)C(=O)OCC
CCn1cc(C(=O)N(C@H)(C(=O)N2CCC(CC2)C(=O)OCC)C(C)C)c(=O)c2c1cc1OCOc1c2
ethyl1((2S)2((5ethyl8oxo(13)dioxolo(45g)quinoline7carbonyl)amino)3methylbutanoyl)piperidine4carboxylate
ethyl1(N((5ethyl8oxo58dihydro(13)dioxolo(45g)quinolin7yl)carbonyl)Lvalyl)piperidine4carboxylate
InChI=1SC26H33N3O7c15281318(23(30)17112021(1219(17)28)36143520)24(31)2722(15(3)4)25(32)299716(81029)26(33)3462h1113151622H51014H214H3(H2731)t22m0s1
MFCD08292369
ZINC000009435877
ZINC09435877
ZINC9435877

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Available files

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