Vitas-M small molecule compound

3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-oxopropanenitrile

Catalog ID
STK380054
SMILES N#CCC(=O)N1CCN(CC1)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 C13H13Cl2N3O MW 298.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13Cl2N3O/c14-11-2-1-10(9-12(11)15)17-5-7-18(8-6-17)13(19)3-4-16/h1-2,9H,3,5-8H2
InChIKey
VHTIPTMYBBZXJQ-UHFFFAOYSA-N
Synonyms
350999-72-3
3(4(34dichlorophenyl)piperazin1yl)3oxopropanenitrile
3(4(34DICHLOROPHENYL)PIPERAZINYL)3OXOPROPANENITRILE
350999723
3OXO3(4(34DICHLOROPHENYL)PIPERAZINO)PROPANENITRILE
C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=O)CC#N
InChI=1SC13H13Cl2N3Oc14112110(912(11)15)175718(8617)13(19)3416h129H358H2
MFCD01993790
ZINC000000999618
ZINC00999618
ZINC999618

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Available files

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