Vitas-M small molecule compound
1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-2-phenoxyethanone
Catalog ID
STK150317
SMILES O=C(N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[N+](=O)[O-])COc1ccccc1
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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 C25H26N4O4 MW 446.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O4/c30-25(19-33-22-9-5-2-6-10-22)28-15-13-27(14-16-28)21-11-12-24(29(31)32)23(17-21)26-18-20-7-3-1-4-8-20/h1-12,17,26H,13-16,18-19H2InChIKey
PINBYFVJJKICSZ-UHFFFAOYSA-NSynonyms
1(4(3(BENZYLAMINO)4NITROPHENYL)PIPERAZIN1YL)2PHENOXYETHANONE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CC=CC=C3)C(=O)COC4=CC=CC=C4
InChI=1SC25H26N4O4c3025(19332295261022)28151327(141628)21111224(29(31)32)23(1721)2618207314820h1121726H13161819H2
MFCD03306371
O=C(N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)(N+)(=O)(O))COc1ccccc1
ZINC000009720999
ZINC09720999
ZINC9720999
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