Vitas-M small molecule compound
methyl 3-(4-bromo-2-fluorophenyl)-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate
Catalog ID
STL192863
SMILES COC(=O)c1ccc2c(c1)C1NC(=O)N(C(O2)(C1)C)c1ccc(cc1F)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 C19H16BrFN2O4 MW 435.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16BrFN2O4/c1-19-9-14(12-7-10(17(24)26-2)3-6-16(12)27-19)22-18(25)23(19)15-5-4-11(20)8-13(15)21/h3-8,14H,9H2,1-2H3,(H,22,25)InChIKey
WPZCJORSDKRJEI-UHFFFAOYSA-NSynonyms
899743-21-6899743216
CC12CC(C3=C(O1)C=CC(=C3)C(=O)OC)NC(=O)N2C4=C(C=C(C=C4)Br)F
InChI=1SC19H16BrFN2O4c119914(12710(17(24)262)3616(12)2719)2218(25)23(19)155411(20)813(15)21h3814H9H212H3(H2225)
methyl3(4bromo2fluorophenyl)2methyl4oxo3456tetrahydro2H26methano135benzoxadiazocine8carboxylate
MFCD07650996
ZINC000009752715
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