Vitas-M small molecule compound
(2E)-3-(1,3-dimethyl-1H-pyrazol-5-yl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-2-en-1-one
Catalog ID
STL393970
SMILES O=C(C12CC3CC(C2)CC(C1)C3)/C=C/c1cc(nn1C)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 C18H24N2O MW 284.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N2O/c1-12-5-16(20(2)19-12)3-4-17(21)18-9-13-6-14(10-18)8-15(7-13)11-18/h3-5,13-15H,6-11H2,1-2H3/b4-3+InChIKey
XOMBTHSCVDVOLA-ONEGZZNKSA-NSynonyms
1005628-53-4(2E)3(13dimethyl1Hpyrazol5yl)1(tricyclo(3311~37~)dec1yl)prop2en1one
(E)1(1adamantyl)3(25dimethylpyrazol3yl)prop2en1one
1005628534
CC1=NN(C(=C1)C=CC(=O)C23CC4CC(C2)CC(C4)C3)C
InChI=1SC18H24N2Oc112516(20(2)1912)3417(21)18913614(1018)815(713)1118h351315H611H212H3b43+
O=C(C12CC3CC(C2)CC(C1)C3)C=Cc1cc(nn1C)C
ZINC000006922174
ZINC06922174
ZINC6922174
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