Vitas-M small molecule compound

1-butoxy-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-2-ol

Catalog ID
STK030446
SMILES CCCCOCC(CN1CCN(CC1)c1ccc(cc1)[N+](=O)[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 C17H27N3O4 MW 337.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H27N3O4/c1-2-3-12-24-14-17(21)13-18-8-10-19(11-9-18)15-4-6-16(7-5-15)20(22)23/h4-7,17,21H,2-3,8-14H2,1H3
InChIKey
ZXVCQNADWARJBU-UHFFFAOYSA-N
Synonyms

1BUTOXY3(4(4NITROPHENYL)PIPERAZIN1YL)PROPAN2OL
CCCCOCC(CN1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))O
CCCCOCC(CN1CCN(CC1)C2=CC=C(C=C2)(N+)(=O)(O))O
InChI=1SC17H27N3O4c12312241417(21)131881019(11918)154616(7515)20(22)23h471721H23814H21H3
MFCD00383366
STK030446
ZINC000019336833
ZINC000019336837

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Available files

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