Vitas-M small molecule compound

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

Catalog ID
STL094509
SMILES CC1C2NC(=S)NC1(C)Oc1c2cc(Br)cc1

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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 C12H13BrN2OS MW 313.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13BrN2OS/c1-6-10-8-5-7(13)3-4-9(8)16-12(6,2)15-11(17)14-10/h3-6,10H,1-2H3,(H2,14,15,17)
InChIKey
WSZWXNSJLSZQFG-UHFFFAOYSA-N
Synonyms

8bromo211dimethyl2356tetrahydro4H26methano135benzoxadiazocine4thione
CC1C2C3=C(C=CC(=C3)Br)OC1(NC(=S)N2)C
InChI=1SC12H13BrN2OSc1610857(13)349(8)1612(62)1511(17)1410h3610H12H3(H2141517)
MFCD05025789
ZINC000101390552
ZINC000101390557

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Available files

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