Vitas-M small molecule compound
5'-methyl-2'-phenyl-3,3-bis(trifluoromethyl)spiro[bicyclo[2.2.1]hept-5-ene-2,4'-pyrazol]-3'(2'H)-one
Catalog ID
STK838103
SMILES FC(C1(C2C=CC(C31C(=NN(C3=O)c1ccccc1)C)C2)C(F)(F)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 C18H14F6N2O MW 388.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14F6N2O/c1-10-15(14(27)26(25-10)13-5-3-2-4-6-13)11-7-8-12(9-11)16(15,17(19,20)21)18(22,23)24/h2-8,11-12H,9H2,1H3InChIKey
VTHZQAOUAHETLH-UHFFFAOYSA-NSynonyms
(1S2S4R)3methyl1phenyl33bis(trifluoromethyl)spiro(bicyclo(221)hept(5)ene24pyrazol)5(1H)one
5methyl2phenyl33bis(trifluoromethyl)spiro(bicyclo(221)hept5ene24pyrazol)3(2H)one
5METHYL2PHENYL33BIS(TRIFLUOROMETHYL)SPIRO(BICYCLO(221)HEPT5ENE24PYRAZOLE)3ONE
CC1=NN(C(=O)C12C3CC(C2(C(F)(F)F)C(F)(F)F)C=C3)C4=CC=CC=C4
InChI=1SC18H14F6N2Oc11015(14(27)26(2510)135324613)117812(911)16(1517(1920)21)18(2223)24h281112H9H21H3
MFCD02997812
ZINC000100796773
ZINC000100796774
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