Vitas-M small molecule compound

methyl 4-({[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate

Catalog ID
STK649931
SMILES COC(=O)c1ccc(cc1)NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCCO2

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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 C21H20N2O6 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6/c1-27-21(26)13-2-4-15(5-3-13)22-20(25)14-10-19(24)23(12-14)16-6-7-17-18(11-16)29-9-8-28-17/h2-7,11,14H,8-10,12H2,1H3,(H,22,25)
InChIKey
FKBGWTAPWKZDOV-UHFFFAOYSA-N
Synonyms
1008400-34-7
1008400347
COC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4
InChI=1SC21H20N2O6c12721(26)132415(5313)2220(25)141019(24)23(1214)16671718(1116)29982817h271114H81012H21H3(H2225)
methyl4(((1(23dihydro14benzodioxin6yl)5oxopyrrolidin3yl)carbonyl)amino)benzoate
methyl4((1(23dihydro14benzodioxin6yl)5oxopyrrolidine3carbonyl)amino)benzoate
methyl4(1(23dihydrobenzo(b)(14)dioxin6yl)5oxopyrrolidine3carboxamido)benzoate
MFCD04804158
ZINC000005576583
ZINC000005576585

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Available files

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