Vitas-M small molecule compound
(4Z)-4,4'-(Z)-methylylidenebis{5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one}
Catalog ID
STL431272
SMILES CC1=NN(C(=O)C1/C=C\1/C(=NN(C1=O)c1cccc(c1)C(F)(F)F)C)c1cccc(c1)C(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 C23H16F6N4O2 MW 494.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16F6N4O2/c1-12-18(20(34)32(30-12)16-7-3-5-14(9-16)22(24,25)26)11-19-13(2)31-33(21(19)35)17-8-4-6-15(10-17)23(27,28)29/h3-11,18H,1-2H3/b19-11-InChIKey
KTKFPQCZSCYPMO-ODLFYWEKSA-NSynonyms
(4Z)44(Z)methylylidenebis(5methyl2(3(trifluoromethyl)phenyl)24dihydro3Hpyrazol3one)
(4Z)5methyl4((3methyl5oxo1(3(trifluoromethyl)phenyl)4Hpyrazol4yl)methylidene)2(3(trifluoromethyl)phenyl)pyrazol3one
CC1=NN(C(=O)C1C=C1C(=NN(C1=O)c1cccc(c1)C(F)(F)F)C)c1cccc(c1)C(F)(F)F
CC1=NN(C(=O)C1C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(F)(F)F)C)C4=CC=CC(=C4)C(F)(F)F
InChI=1SC23H16F6N4O2c11218(20(34)32(3012)1673514(916)22(2425)26)111913(2)3133(21(19)35)1784615(1017)23(2728)29h31118H12H3b1911
MFCD01446306
ZINC000032099453
ZINC000100149896
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