Vitas-M small molecule compound
(4aS)-5-ethynyl-5-hydroxy-4a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
Catalog ID
STL574729
SMILES C#CC1(O)CCCC2=CC(=O)CC[C@]12C
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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 C13H16O2 MW 204.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16O2/c1-3-13(15)7-4-5-10-9-11(14)6-8-12(10,13)2/h1,9,15H,4-8H2,2H3/t12-,13?/m0/s1InChIKey
OZFDSMFYURTKRO-UEWDXFNNSA-NSynonyms
(4aS)5ethynyl5hydroxy4amethyl44a5678hexahydronaphthalen2(3H)one
(4aS)5ethynyl5hydroxy4amethyl4678tetrahydro3Hnaphthalen2one
363377
InChI=1SC13H16O2c1313(15)74510911(14)6812(1013)2h1915H48H22H3t1213?m0s1
MFCD32654783
ZINC000005884777
ZINC000006482369
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