Vitas-M small molecule compound
[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Catalog ID
STK984627
SMILES O=C(C1COc2c(O1)cccc2)OCc1onc(n1)c1ccc(cc1)Br
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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 C18H13BrN2O5 MW 417.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13BrN2O5/c19-12-7-5-11(6-8-12)17-20-16(26-21-17)10-24-18(22)15-9-23-13-3-1-2-4-14(13)25-15/h1-8,15H,9-10H2InChIKey
ZAHIATQBUPLGMF-UHFFFAOYSA-NSynonyms
(3(4bromophenyl)124oxadiazol5yl)methyl23dihydro14benzodioxine2carboxylate
(3(4bromophenyl)124oxadiazol5yl)methyl23dihydro14benzodioxine3carboxylate
C1C(OC2=CC=CC=C2O1)C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)Br
InChI=1SC18H13BrN2O5c19127511(6812)172016(262117)102418(22)1592313312414(13)2515h1815H910H2
MFCD18181706
ZINC000051315152
ZINC000051315154
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