Vitas-M small molecule compound

3-methyl-1-{4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}butan-1-one

Catalog ID
STK347240
SMILES CC(CC(=O)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)[N+](=O)[O-])C

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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 C20H30N4O3 MW 374.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H30N4O3/c1-16(2)14-20(25)23-12-10-21(11-13-23)17-6-7-18(24(26)27)19(15-17)22-8-4-3-5-9-22/h6-7,15-16H,3-5,8-14H2,1-2H3
InChIKey
LXNHHQNBWSOJCU-UHFFFAOYSA-N
Synonyms

3methyl1(4(4nitro3(piperidin1yl)phenyl)piperazin1yl)butan1one
3METHYL1(4(4NITRO3PIPERIDIN1YLPHENYL)PIPERAZIN1YL)BUTAN1ONE
CC(C)CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))N3CCCCC3
CC(CC(=O)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)(N+)(=O)(O))C
InChI=1SC20H30N4O3c116(2)1420(25)23121021(111323)176718(24(26)27)19(1517)228435922h671516H35814H212H3
MFCD05829490
ZINC000004757725
ZINC04757725
ZINC4757725

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Available files

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