Vitas-M small molecule compound

2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione

Catalog ID
STL092774
SMILES S=C1NC2c3ccccc3OC(N1)(C2C)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 C12H14N2OS MW 234.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2OS/c1-7-10-8-5-3-4-6-9(8)15-12(7,2)14-11(16)13-10/h3-7,10H,1-2H3,(H2,13,14,16)
InChIKey
KHNYRGKEGQXNQU-UHFFFAOYSA-N
Synonyms
1005287-24-0
1005287240
211dimethyl2356tetrahydro4H26methano135benzoxadiazocine4thione
CC1C2C3=CC=CC=C3OC1(NC(=S)N2)C
InChI=1SC12H14N2OSc1710853469(8)1512(72)1411(16)1310h3710H12H3(H2131416)
MFCD03829305
ZINC000100032793
ZINC000100032796

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Available files

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