Vitas-M small molecule compound
3-(2-hydroxyethyl)-1,5-dinitro-11-(2-oxo-2-phenylethyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Catalog ID
STK687742
SMILES OCCN1CC2([N+](=O)[O-])C(=O)c3c(C(C1)(C2CC(=O)c1ccccc1)[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 C22H21N3O7 MW 439.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O7/c26-11-10-23-13-21(24(29)30)17-9-5-4-8-16(17)20(28)22(14-23,25(31)32)19(21)12-18(27)15-6-2-1-3-7-15/h1-9,19,26H,10-14H2InChIKey
IYVQCKINVLHESP-UHFFFAOYSA-NSynonyms
3(2hydroxyethyl)15dinitro11(2oxo2phenylethyl)2345tetrahydro15methano3benzazocin6(1H)oneC1C2(C(C(CN1CCO)(C(=O)C3=CC=CC=C32)(N+)(=O)(O))CC(=O)C4=CC=CC=C4)(N+)(=O)(O)
OCCN1CC2((N+)(=O)(O))C(=O)c3c(C(C1)(C2CC(=O)c1ccccc1)(N+)(=O)(O))cccc3
Registry IDs
MFCD07757631ZINC000227190112
ZINC000227190118
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Check stock on Vitas-MAvailable files
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