Vitas-M small molecule compound

5-ethyl-8-oxo-N-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide

Catalog ID
STK607646
SMILES CCn1cc(C(=O)N[C@H](C(=O)N2CCN(CC2)c2ccccc2)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 C26H28N4O5 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O5/c1-3-28-15-20(24(31)19-13-22-23(14-21(19)28)35-16-34-22)25(32)27-17(2)26(33)30-11-9-29(10-12-30)18-7-5-4-6-8-18/h4-8,13-15,17H,3,9-12,16H2,1-2H3,(H,27,32)/t17-/m0/s1
InChIKey
NXNVWYSTLJIWSG-KRWDZBQOSA-N
Synonyms
957024-81-6
(S)5ethyl8oxoN(1oxo1(4phenylpiperazin1yl)propan2yl)58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ethyl8oxoN((2S)1oxo1(4phenylpiperazin1yl)propan2yl)(13)dioxolo(45g)quinoline7carboxamide
5ethyl8oxoN((2S)1oxo1(4phenylpiperazin1yl)propan2yl)58dihydro(13)dioxolo(45g)quinoline7carboxamide
957024816
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(C)C(=O)N4CCN(CC4)C5=CC=CC=C5
CCn1cc(C(=O)N(C@H)(C(=O)N2CCN(CC2)c2ccccc2)C)c(=O)c2c1cc1OCOc1c2
InChI=1SC26H28N4O5c13281520(24(31)19132223(1421(19)28)35163422)25(32)2717(2)26(33)3011929(101230)187546818h48131517H391216H212H3(H2732)t17m0s1
MFCD08745107
ZINC000009061102
ZINC09061102
ZINC9061102

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Available files

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