Vitas-M small molecule compound
methyl 3-(2-bromophenyl)-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-8-carboxylate
Catalog ID
STL192648
SMILES COC(=O)c1ccc2c(c1)C1NC(=O)N(C(O2)(C1)C)c1ccccc1Br
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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 C19H17BrN2O4 MW 417.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN2O4/c1-19-10-14(12-9-11(17(23)25-2)7-8-16(12)26-19)21-18(24)22(19)15-6-4-3-5-13(15)20/h3-9,14H,10H2,1-2H3,(H,21,24)InChIKey
FZQLDKSZZAWMIW-UHFFFAOYSA-NSynonyms
CC12CC(C3=C(O1)C=CC(=C3)C(=O)OC)NC(=O)N2C4=CC=CC=C4Br
InChI=1SC19H17BrN2O4c1191014(12911(17(23)252)7816(12)2619)2118(24)22(19)15643513(15)20h3914H10H212H3(H2124)
methyl3(2bromophenyl)2methyl4oxo3456tetrahydro2H26methano135benzoxadiazocine8carboxylate
MFCD22390784
ZINC000072333325
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