Vitas-M small molecule compound

2-methyl-3-(3-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione

Catalog ID
STL080872
SMILES Cc1cccc(c1)N1C(=S)NC2CC1(C)Oc1c2cccc1

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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 C18H18N2OS MW 310.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2OS/c1-12-6-5-7-13(10-12)20-17(22)19-15-11-18(20,2)21-16-9-4-3-8-14(15)16/h3-10,15H,11H2,1-2H3,(H,19,22)
InChIKey
HOEONHFPJPWARL-UHFFFAOYSA-N
Synonyms
702655-55-8
2methyl3(3methylphenyl)2356tetrahydro4H26methano135benzoxadiazocine4thione
702655558
CC1=CC(=CC=C1)N2C(=S)NC3CC2(OC4=CC=CC=C34)C
InChI=1SC18H18N2OSc11265713(1012)2017(22)19151118(202)2116943814(15)16h31015H11H212H3(H1922)
MFCD03450286
ZINC000000424748

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Available files

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