Vitas-M small molecule compound

(4-benzylpiperazin-1-yl)(4-methyl-3,5-dinitrophenyl)methanone

Catalog ID
STK444508
SMILES O=C(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)N1CCN(CC1)Cc1ccccc1

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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 C19H20N4O5 MW 384.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O5/c1-14-17(22(25)26)11-16(12-18(14)23(27)28)19(24)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3
InChIKey
DFXUFBVSZPXCCV-UHFFFAOYSA-N
Synonyms

(4benzylpiperazin1yl)(4methyl35dinitrophenyl)methanone
4METHYL35DINITROPHENYL4BENZYLPIPERAZINYLKETONE
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)N2CCN(CC2)CC3=CC=CC=C3)(N+)(=O)(O)
InChI=1SC19H20N4O5c11417(22(25)26)1116(1218(14)23(27)28)19(24)219720(81021)13155324615h261112H71013H21H3
MFCD01343111
O=C(c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)N1CCN(CC1)Cc1ccccc1
ZINC000020295329
ZINC20295329

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Available files

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