Vitas-M small molecule compound

methyl 6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3,4-dihydroquinoline-1(2H)-carboxylate

Catalog ID
STK665194
SMILES COC(=O)N1CCCc2c1ccc(c2)N1C(=O)C2C(C1=O)C1CC2C=C1

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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 C20H20N2O4 MW 352.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O4/c1-26-20(25)21-8-2-3-11-10-14(6-7-15(11)21)22-18(23)16-12-4-5-13(9-12)17(16)19(22)24/h4-7,10,12-13,16-17H,2-3,8-9H2,1H3
InChIKey
XVVQDTGGYZKKAW-UHFFFAOYSA-N
Synonyms

COC(=O)N1CCCC2=C1C=CC(=C2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC20H20N2O4c12620(25)21823111014(6715(11)21)2218(23)16124513(912)17(16)19(22)24h471012131617H2389H21H3
methyl6(13dioxo133a477ahexahydro2H47methanoisoindol2yl)34dihydroquinoline1(2H)carboxylate
MFCD08336263
ZINC000100221743
ZINC000103032731

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Available files

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