Vitas-M small molecule compound

3-butyl-1,5-dinitro-11-(2-oxopropyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one

Catalog ID
STK771471
SMILES CCCCN1CC2([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 C19H23N3O6 MW 389.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O6/c1-3-4-9-20-11-18(21(25)26)15-8-6-5-7-14(15)17(24)19(12-20,22(27)28)16(18)10-13(2)23/h5-8,16H,3-4,9-12H2,1-2H3
InChIKey
JKORNPADDKBNBY-UHFFFAOYSA-N
Synonyms

3butyl15dinitro11(2oxopropyl)2345tetrahydro15methano3benzazocin6(1H)one
CCCCN1CC2((N+)(=O)(O))C(=O)c3c(C(C1)(C2CC(=O)C)(N+)(=O)(O))cccc3
CCCCN1CC2(C(C(C1)(C(=O)C3=CC=CC=C32)(N+)(=O)(O))CC(=O)C)(N+)(=O)(O)
InChI=1SC19H23N3O6c1349201118(21(25)26)15865714(15)17(24)19(122022(27)28)16(18)1013(2)23h5816H34912H212H3
MFCD03764791
ZINC000144927191
ZINC000144927398

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Available files

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