Vitas-M small molecule compound

(2Z)-1-(4-benzylpiperazin-1-yl)-3-[3-(3,5-dinitrophenoxy)phenyl]prop-2-en-1-one

Catalog ID
STK338614
SMILES O=C(N1CCN(CC1)Cc1ccccc1)/C=C\c1cccc(c1)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 C26H24N4O6 MW 488.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O6/c31-26(28-13-11-27(12-14-28)19-21-5-2-1-3-6-21)10-9-20-7-4-8-24(15-20)36-25-17-22(29(32)33)16-23(18-25)30(34)35/h1-10,15-18H,11-14,19H2/b10-9-
InChIKey
HEDWEZLKHREXHS-KTKRTIGZSA-N
Synonyms
381684-60-2
(2Z)1(4BENZYLPIPERAZIN1YL)3(3(35DINITROPHENOXY)PHENYL)PROP2EN1ONE
(2Z)3(3(35DINITROPHENOXY)PHENYL)1(4BENZYLPIPERAZINYL)PROP2EN1ONE
(Z)1(4benzylpiperazin1yl)3(3(35dinitrophenoxy)phenyl)prop2en1one
381684602
C1CN(CCN1CC2=CC=CC=C2)C(=O)C=CC3=CC(=CC=C3)OC4=CC(=CC(=C4)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC26H24N4O6c3126(28131127(121428)19215213621)1092074824(1520)36251722(29(32)33)1623(1825)30(34)35h1101518H111419H2b109
MFCD02996642
O=C(N1CCN(CC1)Cc1ccccc1)C=Cc1cccc(c1)Oc1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
ZINC000013810178
ZINC13810178

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Available files

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