Vitas-M small molecule compound

N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide

Catalog ID
STK604868
SMILES CCn1cc(C(=O)NCC(=O)Nc2ccc3c(c2)OCO3)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 C22H19N3O7 MW 437.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O7/c1-2-25-9-14(21(27)13-6-18-19(7-15(13)25)32-11-31-18)22(28)23-8-20(26)24-12-3-4-16-17(5-12)30-10-29-16/h3-7,9H,2,8,10-11H2,1H3,(H,23,28)(H,24,26)
InChIKey
IFHPHVQUXDQREI-UHFFFAOYSA-N
Synonyms
920430-74-6
920430746
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NCC(=O)NC4=CC5=C(C=C4)OCO5
InChI=1SC22H19N3O7c1225914(21(27)1361819(715(13)25)32113118)22(28)23820(26)2412341617(512)30102916h379H281011H21H3(H2328)(H2426)
MFCD08746948
N(2(13benzodioxol5ylamino)2oxoethyl)5ethyl8oxo(13)dioxolo(45g)quinoline7carboxamide
N(2(13benzodioxol5ylamino)2oxoethyl)5ethyl8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
N(2(benzo(d)(13)dioxol5ylamino)2oxoethyl)5ethyl8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
ZINC000009305066
ZINC09305066
ZINC9305066

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Available files

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