Vitas-M small molecule compound
[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl 3-fluoro-4-methylbenzoate
Catalog ID
STK900850
SMILES O=C(c1ccc(c(c1)F)C)OCc1onc(n1)c1ccc2c(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 C18H13FN2O5 MW 356.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13FN2O5/c1-10-2-3-12(6-13(10)19)18(22)23-8-16-20-17(21-26-16)11-4-5-14-15(7-11)25-9-24-14/h2-7H,8-9H2,1H3InChIKey
QBCGHVMLBGIQJO-UHFFFAOYSA-NSynonyms
(3(13benzodioxol5yl)124oxadiazol5yl)methyl3fluoro4methylbenzoate
CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC4=C(C=C3)OCO4)F
InChI=1SC18H13FN2O5c1102312(613(10)19)18(22)238162017(212616)11451415(711)2592414h27H89H21H3
MFCD18173666
ZINC000044836777
ZINC44836777
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