Vitas-M small molecule compound

8-bromo-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione

Catalog ID
STL092819
SMILES CC12CC(NC(=S)N1)c1c(O2)ccc(c1)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 C11H11BrN2OS MW 299.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11BrN2OS/c1-11-5-8(13-10(16)14-11)7-4-6(12)2-3-9(7)15-11/h2-4,8H,5H2,1H3,(H2,13,14,16)
InChIKey
HKAMKDIXZSCYTG-UHFFFAOYSA-N
Synonyms
702656-17-5
702656175
8bromo2methyl2356tetrahydro4H26methano135benzoxadiazocine4thione
CC12CC(C3=C(O1)C=CC(=C3)Br)NC(=S)N2
InChI=1SC11H11BrN2OSc11158(1310(16)1411)746(12)239(7)1511h248H5H21H3(H2131416)
MFCD05025865
ZINC000000424814

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.