Vitas-M small molecule compound
2-[(2-bromobenzyl)amino]-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Catalog ID
STL187794
SMILES O=C(NCc1ccccc1Br)COC(=O)C1COc2c(O1)cccc2
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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 C18H16BrNO5 MW 406.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16BrNO5/c19-13-6-2-1-5-12(13)9-20-17(21)11-24-18(22)16-10-23-14-7-3-4-8-15(14)25-16/h1-8,16H,9-11H2,(H,20,21)InChIKey
XDUCGSVQTZSIRP-UHFFFAOYSA-NSynonyms
(2((2bromophenyl)methylamino)2oxoethyl)23dihydro14benzodioxine3carboxylate
2((2bromobenzyl)amino)2oxoethyl23dihydro14benzodioxine2carboxylate
C1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)NCC3=CC=CC=C3Br
InChI=1SC18H16BrNO5c1913621512(13)92017(21)112418(22)16102314734815(14)2516h1816H911H2(H2021)
MFCD22388199
ZINC000072330869
ZINC000072330870
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