Vitas-M small molecule compound

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

Catalog ID
STL170955
SMILES O=C(N1CCN(CC1)c1ccccc1)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 C25H24N4O6 MW 476.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O6/c30-25(27-14-12-26(13-15-27)20-4-2-1-3-5-20)11-8-19-6-9-23(10-7-19)35-24-17-21(28(31)32)16-22(18-24)29(33)34/h1-7,9-10,16-18H,8,11-15H2
InChIKey
KSJGWKSYCDIYGE-UHFFFAOYSA-N
Synonyms
313249-26-2
3(4(35dinitrophenoxy)phenyl)1(4phenylpiperazin1yl)propan1one
313249262
C1CN(CCN1C2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)OC4=CC(=CC(=C4)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC25H24N4O6c3025(27141226(131527)204213520)118196923(10719)35241721(28(31)32)1622(1824)29(33)34h179101618H81115H2
MFCD01002446
O=C(N1CCN(CC1)c1ccccc1)CCc1ccc(cc1)Oc1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
ZINC000008935178
ZINC08935178
ZINC8935178

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Available files

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