Vitas-M small molecule compound

{4-[3-(4-benzylpiperazin-1-yl)-4-nitrophenyl]piperazin-1-yl}(4-methylphenyl)methanone

Catalog ID
STK205890
SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCN(CC1)Cc1ccccc1)[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 C29H33N5O3 MW 499.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N5O3/c1-23-7-9-25(10-8-23)29(35)33-19-17-31(18-20-33)26-11-12-27(34(36)37)28(21-26)32-15-13-30(14-16-32)22-24-5-3-2-4-6-24/h2-12,21H,13-20,22H2,1H3
InChIKey
UXWTVHASWHZCTR-UHFFFAOYSA-N
Synonyms

(4(3(4BENZYLPIPERAZIN1YL)4NITROPHENYL)PIPERAZIN1YL)(4METHYLPHENYL)METHANONE
CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCN(CC4)CC5=CC=CC=C5
Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCN(CC1)Cc1ccccc1)(N+)(=O)(O)
InChI=1SC29H33N5O3c1237925(10823)29(35)33191731(182033)26111227(34(36)37)28(2126)32151330(141632)22245324624h21221H132022H21H3
MFCD05838560
ZINC000055552692
ZINC55552692

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Available files

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