Vitas-M small molecule compound

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

Catalog ID
STK438017
SMILES O=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(c(c1)Cl)Cl

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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 C19H17Cl2N3O3 MW 406.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17Cl2N3O3/c20-17-7-1-14(13-18(17)21)2-8-19(25)23-11-9-22(10-12-23)15-3-5-16(6-4-15)24(26)27/h1-8,13H,9-12H2/b8-2+
InChIKey
NOAQACYFIXPMAS-KRXBUXKQSA-N
Synonyms

(2E)3(34dichlorophenyl)1(4(4nitrophenyl)piperazin1yl)prop2en1one
(2E)3(34DICHLOROPHENYL)1(4(4NITROPHENYL)PIPERAZINYL)PROP2EN1ONE
(E)3(34DICHLOROPHENYL)1(4(4NITROPHENYL)PIPERAZIN1YL)PROP2EN1ONE
1(3(34DICHLOROPHENYL)ACRYLOYL)4(4NITROPHENYL)PIPERAZINE
C1CN(CCN1C2=CC=C(C=C2)(N+)(=O)(O))C(=O)C=CC3=CC(=C(C=C3)Cl)Cl
InChI=1SC19H17Cl2N3O3c20177114(1318(17)21)2819(25)2311922(101223)153516(6415)24(26)27h1813H912H2b82+
MFCD03365121
O=C(N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))C=Cc1ccc(c(c1)Cl)Cl
ZINC000004460010
ZINC04460010
ZINC4460010

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.