Vitas-M small molecule compound
3-(2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoic acid
Catalog ID
STL284659
SMILES O=C1NC2CC(N1c1cccc(c1)C(=O)O)(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 C18H16N2O4 MW 324.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4/c1-18-10-14(13-7-2-3-8-15(13)24-18)19-17(23)20(18)12-6-4-5-11(9-12)16(21)22/h2-9,14H,10H2,1H3,(H,19,23)(H,21,22)InChIKey
VCKXLTWFHBRJCE-UHFFFAOYSA-NSynonyms
899213-29-73(2methyl4oxo56dihydro2H26methano135benzoxadiazocin3(4H)yl)benzoicacid
3(2METHYL4OXO56DIHYDRO2H26METHANOBENZO(G)(135)OXADIAZOCIN3(4H)YL)BENZOICACID
899213297
CC12CC(C3=CC=CC=C3O1)NC(=O)N2C4=CC=CC(=C4)C(=O)O
InChI=1SC18H16N2O4c1181014(13723815(13)2418)1917(23)20(18)1264511(912)16(21)22h2914H10H21H3(H1923)(H2122)
MFCD06743097
ZINC000004313282
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