Vitas-M small molecule compound
2-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}benzoic acid
Catalog ID
STL247375
SMILES O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)Cc1ccccc1C(=O)O
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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 C21H22N2O5 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5/c24-20(12-16-3-1-2-4-17(16)21(25)26)23-9-7-22(8-10-23)13-15-5-6-18-19(11-15)28-14-27-18/h1-6,11H,7-10,12-14H2,(H,25,26)InChIKey
UCKDHEDPMCPVIN-UHFFFAOYSA-NSynonyms
1351683-64-11351683641
2(2(4(13benzodioxol5ylmethyl)piperazin1yl)2oxoethyl)benzoicacid
2(2(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)2oxoethyl)benzoicacid
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=CC=C4C(=O)O
InChI=1SC21H22N2O5c2420(1216312417(16)21(25)26)239722(81023)1315561819(1115)28142718h1611H7101214H2(H2526)
MFCD20536648
ZINC000072401550
ZINC72401550
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