Vitas-M small molecule compound

{1-[(4-nitrophenyl)sulfonyl]piperidin-3-yl}(4-phenylpiperazin-1-yl)methanone

Catalog ID
STK193868
SMILES O=C(C1CCCN(C1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)c1ccccc1

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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 C22H26N4O5S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O5S/c27-22(24-15-13-23(14-16-24)19-6-2-1-3-7-19)18-5-4-12-25(17-18)32(30,31)21-10-8-20(9-11-21)26(28)29/h1-3,6-11,18H,4-5,12-17H2
InChIKey
YXWSHBVVAPJWCA-UHFFFAOYSA-N
Synonyms
524675-55-6
(1((4NITROPHENYL)SULFONYL)PIPERIDIN3YL)(4PHENYLPIPERAZIN1YL)METHANONE
(1(4NITROPHENYL)SULFONYLPIPERIDIN3YL)(4PHENYLPIPERAZIN1YL)METHANONE
1((1((4NITROPHENYL)SULFONYL)3PIPERIDINYL)CARBONYL)4PHENYLPIPERAZINE
524675556
C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)(N+)(=O)(O))C(=O)N3CCN(CC3)C4=CC=CC=C4
InChI=1SC22H26N4O5Sc2722(24151323(141624)196213719)18541225(1718)32(3031)2110820(91121)26(28)29h1361118H451217H2
MFCD03615922
O=C(C1CCCN(C1)S(=O)(=O)c1ccc(cc1)(N+)(=O)(O))N1CCN(CC1)c1ccccc1
ZINC000002786743
ZINC000002786744

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Available files

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