Vitas-M small molecule compound

4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)benzamide

Catalog ID
STK157818
SMILES [O-][N+](=O)c1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1C)C(=O)NC12CC3CC(C2)CC(C1)C3

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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 C29H34N4O4 MW 502.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N4O4/c1-19-4-2-3-5-24(19)28(35)32-10-8-31(9-11-32)25-7-6-23(15-26(25)33(36)37)27(34)30-29-16-20-12-21(17-29)14-22(13-20)18-29/h2-7,15,20-22H,8-14,16-18H2,1H3,(H,30,34)
InChIKey
XHYKQFAWSDRHIT-UHFFFAOYSA-N
Synonyms
591736-93-5
(O)(N+)(=O)c1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1C)C(=O)NC12CC3CC(C2)CC(C1)C3
4(4((2methylphenyl)carbonyl)piperazin1yl)3nitroN(tricyclo(3311~37~)dec1yl)benzamide
591736935
CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5)(N+)(=O)(O)
InChI=1SC29H34N4O4c119423524(19)28(35)3210831(91132)257623(1526(25)33(36)37)27(34)302916201221(1729)1422(1320)1829h27152022H8141618H21H3(H3034)
MFCD03688158
N((3s5s7s)adamantan1yl)4(4(2methylbenzoyl)piperazin1yl)3nitrobenzamide
N(1ADAMANTYL)4(4(2METHYLBENZOYL)PIPERAZIN1YL)3NITROBENZAMIDE
ZINC000009042732
ZINC09042732
ZINC9042732

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Available files

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