Vitas-M small molecule compound
3-(4-bromo-3-methylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL094847
SMILES O=C1NC2CC(N1c1ccc(c(c1)C)Br)(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 C18H17BrN2O2 MW 373.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrN2O2/c1-11-9-12(7-8-14(11)19)21-17(22)20-15-10-18(21,2)23-16-6-4-3-5-13(15)16/h3-9,15H,10H2,1-2H3,(H,20,22)InChIKey
VYPMZWGONLUVOD-UHFFFAOYSA-NSynonyms
899742-69-93(4bromo3methylphenyl)2methyl2356tetrahydro4H26methano135benzoxadiazocin4one
3(4BROMO3METHYLPHENYL)2METHYL56DIHYDRO2H26METHANOBENZO(G)(135)OXADIAZOCIN4(3H)ONE
899742699
CC1=C(C=CC(=C1)N2C(=O)NC3CC2(OC4=CC=CC=C34)C)Br
InChI=1SC18H17BrN2O2c111912(7814(11)19)2117(22)20151018(212)2316643513(15)16h3915H10H212H3(H2022)
MFCD07650927
ZINC000101084755
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