Vitas-M small molecule compound
2-[(3,5-difluorophenyl)amino]-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Catalog ID
STL187801
SMILES O=C(Nc1cc(F)cc(c1)F)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 C17H13F2NO5 MW 349.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13F2NO5/c18-10-5-11(19)7-12(6-10)20-16(21)9-24-17(22)15-8-23-13-3-1-2-4-14(13)25-15/h1-7,15H,8-9H2,(H,20,21)InChIKey
YAHJJKWLXSIMHE-UHFFFAOYSA-NSynonyms
(2(35difluoroanilino)2oxoethyl)23dihydro14benzodioxine3carboxylate
2((35difluorophenyl)amino)2oxoethyl23dihydro14benzodioxine2carboxylate
C1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=CC(=CC(=C3)F)F
InChI=1SC17H13F2NO5c1810511(19)712(610)2016(21)92417(22)1582313312414(13)2515h1715H89H2(H2021)
MFCD22388201
ZINC000010520076
ZINC000010520077
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