Vitas-M small molecule compound

{4-[4-(benzyloxy)phenyl]piperazin-1-yl}(4-methyl-3-nitrophenyl)methanone

Catalog ID
STK427548
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])C)N1CCN(CC1)c1ccc(cc1)OCc1ccccc1

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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 C25H25N3O4 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4/c1-19-7-8-21(17-24(19)28(30)31)25(29)27-15-13-26(14-16-27)22-9-11-23(12-10-22)32-18-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3
InChIKey
HNSWBGLUTLAZMW-UHFFFAOYSA-N
Synonyms

(4(4(benzyloxy)phenyl)piperazin1yl)(4methyl3nitrophenyl)methanone
(4METHYL3NITROPHENYL)(4(4PHENYLMETHOXYPHENYL)PIPERAZIN1YL)METHANONE
1(4(BENZYLOXY)PHENYL)4(3NITRO4METHYLBENZOYL)PIPERAZINE
4METHYL3NITROPHENYL4(4(PHENYLMETHOXY)PHENYL)PIPERAZINYLKETONE
CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OCC4=CC=CC=C4)(N+)(=O)(O)
InChI=1SC25H25N3O4c1197821(1724(19)28(30)31)25(29)27151326(141627)2291123(121022)3218205324620h21217H131618H21H3
MFCD02612527
O=C(c1ccc(c(c1)(N+)(=O)(O))C)N1CCN(CC1)c1ccc(cc1)OCc1ccccc1
ZINC000008450896
ZINC08450896
ZINC8450896

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.