Vitas-M small molecule compound
2-methyl-8-nitro-3-phenyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL094383
SMILES O=C1NC2CC(N1c1ccccc1)(C)Oc1c2cc(cc1)[N+](=O)[O-]
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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 C17H15N3O4 MW 325.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O4/c1-17-10-14(13-9-12(20(22)23)7-8-15(13)24-17)18-16(21)19(17)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3,(H,18,21)InChIKey
AFKVTCGOVIGACP-UHFFFAOYSA-NSynonyms
702656-35-72methyl8nitro3phenyl2356tetrahydro4H26methano135benzoxadiazocin4one
2METHYL8NITRO3PHENYL56DIHYDRO2H26METHANOBENZO(G)(135)OXADIAZOCIN4(3H)ONE
702656357
CC12CC(C3=C(O1)C=CC(=C3)(N+)(=O)(O))NC(=O)N2C4=CC=CC=C4
InChI=1SC17H15N3O4c1171014(13912(20(22)23)7815(13)2417)1816(21)19(17)115324611h2914H10H21H3(H1821)
MFCD03830143
O=C1NC2CC(N1c1ccccc1)(C)Oc1c2cc(cc1)(N+)(=O)(O)
ZINC000000424835
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