Vitas-M small molecule compound
(3E)-5-[(1S,4R)-3,3-dimethylbicyclo[2.2.1]hept-2-yl]pent-3-en-2-one
Catalog ID
STL562153
SMILES CC(=O)/C=C/CC1[C@@H]2CC[C@H](C1(C)C)C2
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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 C14H22O MW 206.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H22O/c1-10(15)5-4-6-13-11-7-8-12(9-11)14(13,2)3/h4-5,11-13H,6-9H2,1-3H3/b5-4+/t11-,12+,13?/m0/s1InChIKey
PMWMFQBVQIZNOD-WWVMTZOHSA-NSynonyms
(3E)5((1S4R)33dimethylbicyclo(221)hept2yl)pent3en2one
(E)5((1S4R)33dimethyl2bicyclo(221)heptanyl)pent3en2one
(E)5((1S4R)33dimethylbicyclo(221)heptan2yl)pent3en2one
16395725
CC(=O)C=CCC1(C@H)2CC(C@@H)(C1(C)C)C2
InChI=1SC14H22Oc110(15)54613117812(911)14(132)3h451113H69H213H3b54+t1112+13?m0s1
ZINC000002116146
ZINC000004025943
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