Vitas-M small molecule compound

3-[4-(3,5-dinitrophenoxy)phenyl]-1-(4-methylpiperazin-1-yl)propan-1-one

Catalog ID
STK755906
SMILES CN1CCN(CC1)C(=O)CCc1ccc(cc1)Oc1cc(cc(c1)[N+](=O)[O-])[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 C20H22N4O6 MW 414.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O6/c1-21-8-10-22(11-9-21)20(25)7-4-15-2-5-18(6-3-15)30-19-13-16(23(26)27)12-17(14-19)24(28)29/h2-3,5-6,12-14H,4,7-11H2,1H3
InChIKey
ANCLARLPQXUSMF-UHFFFAOYSA-N
Synonyms

3(4(35dinitrophenoxy)phenyl)1(4methylpiperazin1yl)propan1one
3(4(35DINITROPHENOXY)PHENYL)1(4METHYLPIPERAZINYL)PROPAN1ONE
CN1CCN(CC1)C(=O)CCc1ccc(cc1)Oc1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
CN1CCN(CC1)C(=O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC20H22N4O6c12181022(11921)20(25)74152518(6315)30191316(23(26)27)1217(1419)24(28)29h23561214H4711H21H3
MFCD01002425
ZINC000019537338
ZINC19537338

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Available files

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