Vitas-M small molecule compound
{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}(4-methoxyphenyl)methanone
Catalog ID
STK029507
SMILES COc1ccc(cc1)C(=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 C25H26N4O4 MW 446.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O4/c1-33-22-10-7-20(8-11-22)25(30)28-15-13-27(14-16-28)21-9-12-24(29(31)32)23(17-21)26-18-19-5-3-2-4-6-19/h2-12,17,26H,13-16,18H2,1H3InChIKey
JJJCGCJACVRJEH-UHFFFAOYSA-NSynonyms
(4(3(BENZYLAMINO)4NITROPHENYL)PIPERAZIN1YL)(4METHOXYPHENYL)METHANONE
4METHOXYPHENYL4(4NITRO3(BENZYLAMINO)PHENYL)PIPERAZINYLKETONE
COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCC4=CC=CC=C4
COc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)(N+)(=O)(O)
InChI=1SC25H26N4O4c1332210720(81122)25(30)28151327(141628)2191224(29(31)32)23(1721)2618195324619h2121726H131618H21H3
MFCD02627851
STK029507
ZINC000008816334
ZINC08816334
ZINC8816334
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