Vitas-M small molecule compound
4-{3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid
Catalog ID
STK012762
SMILES O=C1CC(C(=O)N1c1ccc(cc1)C(=O)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 C23H23N3O6 MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O6/c27-21-12-18(22(28)26(21)17-4-2-16(3-5-17)23(29)30)25-9-7-24(8-10-25)13-15-1-6-19-20(11-15)32-14-31-19/h1-6,11,18H,7-10,12-14H2,(H,29,30)InChIKey
ZDKJHAGENDGFJN-UHFFFAOYSA-NSynonyms
296800-80-14(3(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)25DIOXOPYRROLIDIN1YL)BENZOICACID
4(3(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN4IUM1YL)25DIOXOPYRROLIDIN1YL)BENZOATE
4(3(4(2HBENZO(D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)25DIOXOAZOLIDINYL)BENZOICACID
4(3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)25dioxopyrrolidin1yl)benzoicacid
C1CN(CC(NH+)1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=C(C=C5)C(=O)(O)
InChI=1SC23H23N3O6c27211218(22(28)26(21)174216(3517)23(29)30)259724(81025)1315161920(1115)32143119h161118H7101214H2(H2930)
O=C1CC(C(=O)N1c1ccc(cc1)C(=O)O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
STK012762
ZINC000022780562
ZINC000100041733
Check stock
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Check stock on Vitas-MAvailable files
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