Vitas-M small molecule compound

(2E)-1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-3-(2,4-dichlorophenyl)prop-2-en-1-one

Catalog ID
STK058590
SMILES Clc1ccc(c(c1)Cl)/C=C/C(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[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 C26H24Cl2N4O3 MW 511.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24Cl2N4O3/c27-21-8-6-20(23(28)16-21)7-11-26(33)31-14-12-30(13-15-31)22-9-10-25(32(34)35)24(17-22)29-18-19-4-2-1-3-5-19/h1-11,16-17,29H,12-15,18H2/b11-7+
InChIKey
CXKCYEOADNPKKG-YRNVUSSQSA-N
Synonyms

(2E)1(4(3(BENZYLAMINO)4NITROPHENYL)PIPERAZIN1YL)3(24DICHLOROPHENYL)PROP2EN1ONE
(2E)3(24DICHLOROPHENYL)1(4(4NITRO3(BENZYLAMINO)PHENYL)PIPERAZINYL)PROP2EN1ONE
(E)1(4(3(BENZYLAMINO)4NITROPHENYL)PIPERAZIN1YL)3(24DICHLOROPHENYL)PROP2EN1ONE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CC=CC=C3)C(=O)C=CC4=C(C=C(C=C4)Cl)Cl
Clc1ccc(c(c1)Cl)C=CC(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)(N+)(=O)(O)
InChI=1SC26H24Cl2N4O3c27218620(23(28)1621)71126(33)31141230(131531)2291025(32(34)35)24(1722)2918194213519h111161729H121518H2b117+
MFCD02627893
STK058590
ZINC000008816340
ZINC08816340
ZINC8816340

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Available files

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