Vitas-M small molecule compound

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

Catalog ID
STK138556
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)Cc1ccc2c(c1)OCO2

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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 C19H19N3O5 MW 369.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O5/c23-19(15-2-4-16(5-3-15)22(24)25)21-9-7-20(8-10-21)12-14-1-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2
InChIKey
SPRPZHTWOVZZSR-UHFFFAOYSA-N
Synonyms

(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(4NITROPHENYL)METHANONE
(4BENZO(13)DIOXOL5YLMETHYLPIPERAZIN1YL)(4NITROPHENYL)METHANONE
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC19H19N3O5c2319(152416(5315)22(24)25)219720(81021)1214161718(1114)27132617h1611H7101213H2
MFCD01829913
O=C(c1ccc(cc1)(N+)(=O)(O))N1CCN(CC1)Cc1ccc2c(c1)OCO2
ZINC000019782427
ZINC19782427

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Available files

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