Vitas-M small molecule compound
8-bromo-3-(3-methoxypropyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Catalog ID
STL094392
SMILES COCCCN1C(=S)NC2CC1(C)Oc1c2cc(cc1)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 C15H19BrN2O2S MW 371.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19BrN2O2S/c1-15-9-12(11-8-10(16)4-5-13(11)20-15)17-14(21)18(15)6-3-7-19-2/h4-5,8,12H,3,6-7,9H2,1-2H3,(H,17,21)InChIKey
PRBSEHOYSQAXAP-UHFFFAOYSA-NSynonyms
8bromo3(3methoxypropyl)2methyl2356tetrahydro4H26methano135benzoxadiazocine4thione
CC12CC(C3=C(O1)C=CC(=C3)Br)NC(=S)N2CCCOC
InChI=1SC15H19BrN2O2Sc115912(11810(16)4513(11)2015)1714(21)18(15)637192h45812H3679H212H3(H1721)
MFCD05025866
ZINC000100032184
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