Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-1-(2,6-dimethylpiperidin-1-yl)prop-2-en-1-one
Catalog ID
STK441901
SMILES CC1CCCC(N1C(=O)/C=C/c1ccc2c(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 C17H21NO3 MW 287.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO3/c1-12-4-3-5-13(2)18(12)17(19)9-7-14-6-8-15-16(10-14)21-11-20-15/h6-10,12-13H,3-5,11H2,1-2H3/b9-7+InChIKey
XPBVSKRVODPTTJ-VQHVLOKHSA-NSynonyms
(2E)3(13benzodioxol5yl)1(26dimethylpiperidin1yl)prop2en1one
(2E)3(2HBENZO(34D)13DIOXOLAN5YL)1(26DIMETHYLPIPERIDYL)PROP2EN1ONE
(E)3(13BENZODIOXOL5YL)1(26DIMETHYLPIPERIDIN1YL)PROP2EN1ONE
CC1CCCC(N1C(=O)C=Cc1ccc2c(c1)OCO2)C
CC1CCCC(N1C(=O)C=CC2=CC3=C(C=C2)OCO3)C
InChI=1SC17H21NO3c11243513(2)18(12)17(19)9714681516(1014)21112015h6101213H3511H212H3b97+
MFCD03368072
ZINC000006250141
ZINC000017009797
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