Vitas-M small molecule compound
(2E)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-3-{[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}prop-2-en-1-one
Catalog ID
STK306412
SMILES O=C(C12CC3CC(C2)CC(C1)C3)/C=C/Nc1cnn(c1)CC(F)(F)F
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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 C18H22F3N3O MW 353.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22F3N3O/c19-18(20,21)11-24-10-15(9-23-24)22-2-1-16(25)17-6-12-3-13(7-17)5-14(4-12)8-17/h1-2,9-10,12-14,22H,3-8,11H2/b2-1+InChIKey
VOTHVMZAQVSMKV-OWOJBTEDSA-NSynonyms
1005566-02-8(2E)1(tricyclo(3311~37~)dec1yl)3((1(222trifluoroethyl)1Hpyrazol4yl)amino)prop2en1one
(E)1(1ADAMANTYL)3((1(222TRIFLUOROETHYL)PYRAZOL4YL)AMINO)PROP2EN1ONE
1005566028
C1C2CC3CC1CC(C2)(C3)C(=O)C=CNC4=CN(N=C4)CC(F)(F)F
InChI=1SC18H22F3N3Oc1918(2021)11241015(92324)222116(25)17612313(717)514(412)817h12910121422H3811H2b21+
MFCD04051139
O=C(C12CC3CC(C2)CC(C1)C3)C=CNc1cnn(c1)CC(F)(F)F
ZINC000006828473
ZINC06828473
ZINC6828473
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