Vitas-M small molecule compound
3-[(1,3-benzodioxol-5-ylmethyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Catalog ID
STL357509
SMILES O=C1C=C(NCc2ccc3c(c2)OCO3)CC(C1)(C)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 C16H19NO3 MW 273.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO3/c1-16(2)7-12(6-13(18)8-16)17-9-11-3-4-14-15(5-11)20-10-19-14/h3-6,17H,7-10H2,1-2H3InChIKey
ZRZUNJWMSQOIJP-UHFFFAOYSA-NSynonyms
3((13benzodioxol5ylmethyl)amino)55dimethylcyclohex2en1one
3((BENZO(13)DIOXOL5YLMETHYL)AMINO)55DIMETHYLCYCLOHEX2ENONE
3((benzo(d)(13)dioxol5ylmethyl)amino)55dimethylcyclohex2enone
3(13BENZODIOXOL5YLMETHYLAMINO)55DIMETHYLCYCLOHEX2EN1ONE
CC1(CC(=CC(=O)C1)NCC2=CC3=C(C=C2)OCO3)C
InChI=1SC16H19NO3c116(2)712(613(18)816)17911341415(511)20101914h3617H710H212H3
MFCD01959310
ZINC000004815845
ZINC04815845
ZINC4815845
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