Vitas-M small molecule compound
3-(2-bromoethyl)-1,5-dinitro-11-(2-oxopropyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Catalog ID
STK679241
SMILES BrCCN1CC2([N+](=O)[O-])C(=O)c3c(C(C1)(C2CC(=O)C)[N+](=O)[O-])cccc3
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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 C17H18BrN3O6 MW 440.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18BrN3O6/c1-11(22)8-14-16(20(24)25)9-19(7-6-18)10-17(14,21(26)27)15(23)12-4-2-3-5-13(12)16/h2-5,14H,6-10H2,1H3InChIKey
JOCASRDDRJGRLI-UHFFFAOYSA-NSynonyms
3(2bromoethyl)15dinitro11(2oxopropyl)2345tetrahydro15methano3benzazocin6(1H)one
BrCCN1CC2((N+)(=O)(O))C(=O)c3c(C(C1)(C2CC(=O)C)(N+)(=O)(O))cccc3
CC(=O)CC1C2(CN(CC1(C(=O)C3=CC=CC=C32)(N+)(=O)(O))CCBr)(N+)(=O)(O)
InChI=1SC17H18BrN3O6c111(22)81416(20(24)25)919(7618)1017(1421(26)27)15(23)12423513(12)16h2514H610H21H3
MFCD03269032
ZINC000169616651
ZINC000169616652
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