Vitas-M small molecule compound

1,3-benzodioxol-5-yl[4-(4-nitrophenyl)piperazin-1-yl]methanone

Catalog ID
STK023063
SMILES O=C(c1ccc2c(c1)OCO2)N1CCN(CC1)c1ccc(cc1)[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 C18H17N3O5 MW 355.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O5/c22-18(13-1-6-16-17(11-13)26-12-25-16)20-9-7-19(8-10-20)14-2-4-15(5-3-14)21(23)24/h1-6,11H,7-10,12H2
InChIKey
PZAADSYODXCXHB-UHFFFAOYSA-N
Synonyms
346698-88-2
13BENZODIOXOL5YL(4(4NITROPHENYL)PIPERAZIN1YL)METHANONE
2HBENZO(34D)13DIOXOLAN5YL4(4NITROPHENYL)PIPERAZINYLKETONE
346698882
BENZO(13)DIOXOL5YL(4(4NITROPHENYL)PIPERAZIN1YL)METHANONE
BENZO(D)(13)DIOXOL5YL(4(4NITROPHENYL)PIPERAZIN1YL)METHANONE
C1CN(CCN1C2=CC=C(C=C2)(N+)(=O)(O))C(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC18H17N3O5c2218(13161617(1113)26122516)209719(81020)142415(5314)21(23)24h1611H71012H2
MFCD01356786
O=C(c1ccc2c(c1)OCO2)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
STK023063
ZINC000004045944
ZINC04045944
ZINC4045944

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Available files

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