Vitas-M small molecule compound
8-bromo-2-methyl-3-(3-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Catalog ID
STL094388
SMILES Brc1ccc2c(c1)C1NC(=S)N(C(O2)(C1)C)c1cccc(c1)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 C18H17BrN2OS MW 389.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrN2OS/c1-11-4-3-5-13(8-11)21-17(23)20-15-10-18(21,2)22-16-7-6-12(19)9-14(15)16/h3-9,15H,10H2,1-2H3,(H,20,23)InChIKey
AHHDWVSDQDYQDT-UHFFFAOYSA-NSynonyms
8bromo2methyl3(3methylphenyl)2356tetrahydro4H26methano135benzoxadiazocine4thione
CC1=CC(=CC=C1)N2C(=S)NC3CC2(OC4=C3C=C(C=C4)Br)C
InChI=1SC18H17BrN2OSc11143513(811)2117(23)20151018(212)22167612(19)914(15)16h3915H10H212H3(H2023)
MFCD15086258
ZINC000100032167
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