Vitas-M small molecule compound

2-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1-methyl-6-(piperidin-1-ylmethyl)pyridin-4(1H)-one

Catalog ID
STL314001
SMILES O=c1cc(CN2CCCCC2)n(c(c1O)CN1CCN(CC1)Cc1ccc2c(c1)OCO2)C

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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 C25H34N4O4 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N4O4/c1-26-20(16-27-7-3-2-4-8-27)14-22(30)25(31)21(26)17-29-11-9-28(10-12-29)15-19-5-6-23-24(13-19)33-18-32-23/h5-6,13-14,31H,2-4,7-12,15-18H2,1H3
InChIKey
BOKHVGUFZSNSMG-UHFFFAOYSA-N
Synonyms
1401590-05-3
1401590053
2((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)3hydroxy1methyl6(piperidin1ylmethyl)pyridin4(1H)one
2((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)3hydroxy1methyl6(piperidin1ylmethyl)pyridin4one
2((4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)methyl)3hydroxy1methyl6(piperidin1ylmethyl)pyridin4(1H)one
CN1C(=CC(=O)C(=C1CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O)CN5CCCCC5
InChI=1SC25H34N4O4c12620(16277324827)1422(30)25(31)21(26)172911928(101229)1519562324(1319)33183223h56131431H247121518H21H3
MFCD22583990
ZINC000079485256
ZINC79485256

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Available files

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