Vitas-M small molecule compound

{4-[3-(azepan-1-yl)-4-nitrophenyl]piperazin-1-yl}(4-chlorophenyl)methanone

Catalog ID
STK206034
SMILES Clc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCCCCC1)[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 C23H27ClN4O3 MW 442.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27ClN4O3/c24-19-7-5-18(6-8-19)23(29)27-15-13-25(14-16-27)20-9-10-21(28(30)31)22(17-20)26-11-3-1-2-4-12-26/h5-10,17H,1-4,11-16H2
InChIKey
YMPJKZRQVANXOQ-UHFFFAOYSA-N
Synonyms

(4(3(AZEPAN1YL)4NITROPHENYL)PIPERAZIN1YL)(4CHLOROPHENYL)METHANONE
C1CCCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)(N+)(=O)(O)
Clc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCCCCC1)(N+)(=O)(O)
InChI=1SC23H27ClN4O3c24197518(6819)23(29)27151325(141627)2091021(28(30)31)22(1720)261131241226h51017H141116H2
MFCD06182186
ZINC000009971831
ZINC09971831
ZINC9971831

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Available files

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