Vitas-M small molecule compound
2-bromo-N-{7-[(4-methylphenyl)carbonyl]-2,3-dihydro-1,4-benzodioxin-6-yl}propanamide
Catalog ID
STK271157
SMILES O=C(C(Br)C)Nc1cc2OCCOc2cc1C(=O)c1ccc(cc1)C
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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 C19H18BrNO4 MW 404.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrNO4/c1-11-3-5-13(6-4-11)18(22)14-9-16-17(25-8-7-24-16)10-15(14)21-19(23)12(2)20/h3-6,9-10,12H,7-8H2,1-2H3,(H,21,23)InChIKey
MKLIFYYXSQYXIH-UHFFFAOYSA-NSynonyms
2bromoN(7((4methylphenyl)carbonyl)23dihydro14benzodioxin6yl)propanamide
2bromoN(7(4methylbenzoyl)23dihydro14benzodioxin6yl)propanamide
CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2NC(=O)C(C)Br)OCCO3
InChI=1SC19H18BrNO4c1113513(6411)18(22)1491617(25872416)1015(14)2119(23)12(2)20h3691012H78H212H3(H2123)
MFCD09164159
ZINC000009584579
ZINC000009584581
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