Vitas-M small molecule compound
1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}propan-1-one
Catalog ID
STK150263
SMILES CCC(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[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 C20H24N4O3 MW 368.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O3/c1-2-20(25)23-12-10-22(11-13-23)17-8-9-19(24(26)27)18(14-17)21-15-16-6-4-3-5-7-16/h3-9,14,21H,2,10-13,15H2,1H3InChIKey
WPAPPAQADDIGPD-UHFFFAOYSA-NSynonyms
1(4(3(BENZYLAMINO)4NITROPHENYL)PIPERAZIN1YL)PROPAN1ONE
CCC(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)(N+)(=O)(O)
CCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CC=CC=C3
InChI=1SC20H24N4O3c1220(25)23121022(111323)178919(24(26)27)18(1417)2115166435716h391421H2101315H21H3
MFCD03146440
ZINC000004188598
ZINC04188598
ZINC4188598
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