Vitas-M small molecule compound
2,3-dihydro-1,4-benzodioxin-6-yl{4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}methanone
Catalog ID
STK183854
SMILES O=C(c1ccc2c(c1)OCCO2)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)[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 C24H28N4O5 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O5/c29-24(18-4-7-22-23(16-18)33-15-14-32-22)27-12-10-25(11-13-27)19-5-6-20(28(30)31)21(17-19)26-8-2-1-3-9-26/h4-7,16-17H,1-3,8-15H2InChIKey
KXRAXNPUBYECRK-UHFFFAOYSA-NSynonyms
23DIHYDRO14BENZODIOXIN6YL(4(4NITRO3(PIPERIDIN1YL)PHENYL)PIPERAZIN1YL)METHANONE
23DIHYDRO14BENZODIOXIN6YL(4(4NITRO3PIPERIDIN1YLPHENYL)PIPERAZIN1YL)METHANONE
C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCCO5)(N+)(=O)(O)
InChI=1SC24H28N4O5c2924(18472223(1618)3315143222)27121025(111327)195620(28(30)31)21(1719)268213926h471617H13815H2
MFCD05829479
O=C(c1ccc2c(c1)OCCO2)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)(N+)(=O)(O)
ZINC000009906291
ZINC09906291
ZINC9906291
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