Vitas-M small molecule compound
1-{3-[(5S)-5-ethyl-2,5-dimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromen-2-yl]prop-2-yn-1-yl}-1-methylpiperidinium
Catalog ID
STL553110
SMILES CC[C@]1(C)Oc2ccccc2C2C1CCC(O2)(C)C#CC[N+]1(C)CCCCC1
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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 C25H36NO2 MW 382.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36NO2/c1-5-25(3)21-14-16-24(2,15-11-19-26(4)17-9-6-10-18-26)28-23(21)20-12-7-8-13-22(20)27-25/h7-8,12-13,21,23H,5-6,9-10,14,16-19H2,1-4H3/q+1/t21?,23?,24?,25-/m0/s1InChIKey
RMPGUSXNDYXSIL-QWQZLFKVSA-NSynonyms
1(3((5~(S))5ethyl25dimethyl344~(a)10~(b)tetrahydropyrano(32c)chromen2yl)prop2ynyl)1methylpiperidin1ium
1(3((5S)5ethyl25dimethyl2344a510bhexahydropyrano(32c)chromen2yl)prop2yn1yl)1methylpiperidin1iumiodide
1(3((5S)5ethyl25dimethyl344a10btetrahydro2H5Hpyrano(32c)chromen2yl)prop2yn1yl)1methylpiperidinium
16397300
CC(C@)1(C)Oc2ccccc2C2C1CCC(O2)(C)C#CC(N+)1(C)CCCCC1(I)
InChI=1SC25H36NO2c1525(3)21141624(215111926(4)1796101826)2823(21)2012781322(20)2725h7812132123H56910141619H214H3q+1t21?23?24?25m0s1
ZINC000012660342
ZINC000230056619
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