Vitas-M small molecule compound
(2E)-3-(1-methyl-1H-pyrazol-5-yl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-2-en-1-one
Catalog ID
STL398714
SMILES O=C(C12CC3CC(C2)CC(C1)C3)/C=C/c1ccnn1C
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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 C17H22N2O MW 270.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O/c1-19-15(4-5-18-19)2-3-16(20)17-9-12-6-13(10-17)8-14(7-12)11-17/h2-5,12-14H,6-11H2,1H3/b3-2+InChIKey
VUZGMGFIDQLXSU-NSCUHMNNSA-NSynonyms
1005682-94-9(2E)1ADAMANTANYL3(1METHYLPYRAZOL5YL)PROP2EN1ONE
(2E)3(1methyl1Hpyrazol5yl)1(tricyclo(3311~37~)dec1yl)prop2en1one
(E)1(1adamantyl)3(2methylpyrazol3yl)prop2en1one
1005682949
CN1C(=CC=N1)C=CC(=O)C23CC4CC(C2)CC(C4)C3
InChI=1SC17H22N2Oc11915(451819)2316(20)17912613(1017)814(712)1117h251214H611H21H3b32+
O=C(C12CC3CC(C2)CC(C1)C3)C=Cc1ccnn1C
ZINC000006925466
ZINC06925466
ZINC6925466
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