Vitas-M small molecule compound
3-(4-benzylpiperidin-1-yl)-1-[5-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]propan-1-one
Catalog ID
STK544530
SMILES O=C(N1N=C(CC1c1cccc(c1)[N+](=O)[O-])c1ccccc1)CCN1CCC(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 C30H32N4O3 MW 496.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O3/c35-30(16-19-32-17-14-24(15-18-32)20-23-8-3-1-4-9-23)33-29(26-12-7-13-27(21-26)34(36)37)22-28(31-33)25-10-5-2-6-11-25/h1-13,21,24,29H,14-20,22H2InChIKey
TWLCRJTTZNDZFH-UHFFFAOYSA-NSynonyms
497242-77-03(4BENZYLPIPERIDIN1YL)1(3(3NITROPHENYL)5PHENYL34DIHYDROPYRAZOL2YL)PROPAN1ONE
3(4benzylpiperidin1yl)1(5(3nitrophenyl)3phenyl45dihydro1Hpyrazol1yl)propan1one
497242770
C1CN(CCC1CC2=CC=CC=C2)CCC(=O)N3C(CC(=N3)C4=CC=CC=C4)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC30H32N4O3c3530(161932171424(151832)20238314923)3329(261271327(2126)34(36)37)2228(3133)25105261125h113212429H142022H2
MFCD03300200
O=C(N1N=C(CC1c1cccc(c1)(N+)(=O)(O))c1ccccc1)CCN1CCC(CC1)Cc1ccccc1
ZINC000009380120
ZINC000009380121
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