Vitas-M small molecule compound

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)butanamide

Catalog ID
STK277480
SMILES O=C(Nc1ccc2c(c1)OCCO2)CCCN1C(=O)C2C(C1=O)CC=CC2

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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 C20H22N2O5 MW 370.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O5/c23-18(21-13-7-8-16-17(12-13)27-11-10-26-16)6-3-9-22-19(24)14-4-1-2-5-15(14)20(22)25/h1-2,7-8,12,14-15H,3-6,9-11H2,(H,21,23)
InChIKey
RSURMRTXGBZJNJ-UHFFFAOYSA-N
Synonyms

C1COC2=C(O1)C=CC(=C2)NC(=O)CCCN3C(=O)C4CC=CCC4C3=O
InChI=1SC20H22N2O5c2318(2113781617(1213)2711102616)6392219(24)14412515(14)20(22)25h1278121415H36911H2(H2123)
MFCD09268985
N(23dihydro14benzodioxin6yl)4(13dioxo133a477ahexahydro2Hisoindol2yl)butanamide
N(23dihydro14benzodioxin6yl)4(13dioxo3a477atetrahydroisoindol2yl)butanamide
ZINC000018149052
ZINC000100453975

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Available files

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