Vitas-M small molecule compound
3-(3-chlorophenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Catalog ID
STL094876
SMILES Clc1cccc(c1)N1C(=O)NC2CC1(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 C17H14ClN3O4 MW 359.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN3O4/c1-17-9-14(13-8-12(21(23)24)5-6-15(13)25-17)19-16(22)20(17)11-4-2-3-10(18)7-11/h2-8,14H,9H2,1H3,(H,19,22)InChIKey
VBPVWFUKIAIHSU-UHFFFAOYSA-NSynonyms
687580-33-23(3chlorophenyl)2methyl8nitro2356tetrahydro4H26methano135benzoxadiazocin4one
3(3CHLOROPHENYL)2METHYL8NITRO56DIHYDRO2H26METHANOBENZO(G)(135)OXADIAZOCIN4(3H)ONE
687580332
CC12CC(C3=C(O1)C=CC(=C3)(N+)(=O)(O))NC(=O)N2C4=CC(=CC=C4)Cl
Clc1cccc(c1)N1C(=O)NC2CC1(C)Oc1c2cc(cc1)(N+)(=O)(O)
InChI=1SC17H14ClN3O4c117914(13812(21(23)24)5615(13)2517)1916(22)20(17)1142310(18)711h2814H9H21H3(H1922)
MFCD05029394
ZINC000002601940
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