Vitas-M small molecule compound
2-(4-methylphenyl)-6-nitro-3,5-bis(3-nitrophenyl)-2,3,4,5-tetrahydro-1,2,4-triazine
Catalog ID
STK668388
SMILES Cc1ccc(cc1)N1N=C([N+](=O)[O-])C(NC1c1cccc(c1)[N+](=O)[O-])c1cccc(c1)[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 C22H18N6O6 MW 462.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N6O6/c1-14-8-10-17(11-9-14)25-21(16-5-3-7-19(13-16)27(31)32)23-20(22(24-25)28(33)34)15-4-2-6-18(12-15)26(29)30/h2-13,20-21,23H,1H3InChIKey
IUMHCTKTFYOQKJ-UHFFFAOYSA-NSynonyms
2(4methylphenyl)6nitro35bis(3nitrophenyl)2345tetrahydro124triazine
2(4METHYLPHENYL)6NITRO35BIS(3NITROPHENYL)45DIHYDRO3H124TRIAZINE
CC1=CC=C(C=C1)N2C(NC(C(=N2)(N+)(=O)(O))C3=CC(=CC=C3)(N+)(=O)(O))C4=CC(=CC=C4)(N+)(=O)(O)
Cc1ccc(cc1)N1N=C((N+)(=O)(O))C(NC1c1cccc(c1)(N+)(=O)(O))c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H18N6O6c11481017(11914)2521(1653719(1316)27(31)32)2320(22(2425)28(33)34)1542618(1215)26(29)30h213202123H1H3
MFCD00741945
ZINC000033353874
ZINC000033353882
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