Vitas-M small molecule compound

ethyl 4-{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate

Catalog ID
STK083105
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C25H27N3O6 MW 465.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O6/c1-2-32-25(31)18-4-6-19(7-5-18)28-23(29)14-20(24(28)30)27-11-9-26(10-12-27)15-17-3-8-21-22(13-17)34-16-33-21/h3-8,13,20H,2,9-12,14-16H2,1H3
InChIKey
XBXOICSLTRZIIH-UHFFFAOYSA-N
Synonyms
5933-66-4
5933664
BICYCLO(310)HEXANE1CARBOXYLICACID2METHYL11DIMETHYLETHYLESTER
CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
CCOC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
ETHYL4(3(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)25DIOXOPYRROLIDIN1YL)BENZOATE
ethyl4(3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)25dioxopyrrolidin1yl)benzoate
InChI=1SC25H27N3O6c123225(31)184619(7518)2823(29)1420(24(28)30)2711926(101227)1517382122(1317)34163321h381320H29121416H21H3
MFCD01819987
STK083105
ZINC000022807447
ZINC000085901840

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Available files

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