Vitas-M small molecule compound
3-methyl-1,5-dinitro-11-(2-oxopropyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Catalog ID
STK765938
SMILES CN1CC2([N+](=O)[O-])c3ccccc3C(=O)C(C1)(C2CC(=O)C)[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 C16H17N3O6 MW 347.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O6/c1-10(20)7-13-15(18(22)23)8-17(2)9-16(13,19(24)25)14(21)11-5-3-4-6-12(11)15/h3-6,13H,7-9H2,1-2H3InChIKey
JLWNIFHVRYGTIT-UHFFFAOYSA-NSynonyms
3methyl15dinitro11(2oxopropyl)2345tetrahydro15methano3benzazocin6(1H)one
CC(=O)CC1C2(CN(CC1(C(=O)C3=CC=CC=C32)(N+)(=O)(O))C)(N+)(=O)(O)
CN1CC2((N+)(=O)(O))c3ccccc3C(=O)C(C1)(C2CC(=O)C)(N+)(=O)(O)
InChI=1SC16H17N3O6c110(20)71315(18(22)23)817(2)916(1319(24)25)14(21)11534612(11)15h3613H79H212H3
MFCD02934520
ZINC000169541273
ZINC000169541282
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