Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}butanoic acid
Catalog ID
STL246384
SMILES O=C(CC(C(=O)O)CN1CCN(CC1)c1ccccn1)Nc1ccc2c(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 C21H24N4O5 MW 412.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O5/c26-20(23-16-4-5-17-18(12-16)30-14-29-17)11-15(21(27)28)13-24-7-9-25(10-8-24)19-3-1-2-6-22-19/h1-6,12,15H,7-11,13-14H2,(H,23,26)(H,27,28)InChIKey
PBBQGPLHMHCQIW-UHFFFAOYSA-NSynonyms
1374512-92-11374512921
4(13benzodioxol5ylamino)4oxo2((4(pyridin2yl)piperazin1yl)methyl)butanoicacid
4(13benzodioxol5ylamino)4oxo2((4pyridin2ylpiperazin1yl)methyl)butanoicacid
4(benzo(d)(13)dioxol5ylamino)4oxo2((4(pyridin2yl)piperazin1yl)methyl)butanoicacid
C1CN(CCN1CC(CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)O)C4=CC=CC=N4
InChI=1SC21H24N4O5c2620(2316451718(1216)30142917)1115(21(27)28)13247925(10824)1931262219h161215H7111314H2(H2326)(H2728)
MFCD22203035
ZINC000072404478
ZINC000072404479
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