Vitas-M small molecule compound
(4Z)-4-[5-bromo-3-iodo-2-(propan-2-yloxy)benzylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK958858
SMILES CC(Oc1c(cc(cc1I)Br)/C=C\1/C(=NN(C1=O)c1cccc(c1)C(F)(F)F)C)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 C21H17BrF3IN2O2 MW 593.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrF3IN2O2/c1-11(2)30-19-13(7-15(22)10-18(19)26)8-17-12(3)27-28(20(17)29)16-6-4-5-14(9-16)21(23,24)25/h4-11H,1-3H3/b17-8-InChIKey
GCTIOEZADXFDAW-IUXPMGMMSA-NSynonyms
445285-88-1(4Z)4((5BROMO3IODO2PROPAN2YLOXYPHENYL)METHYLIDENE)5METHYL2(3(TRIFLUOROMETHYL)PHENYL)PYRAZOL3ONE
(4Z)4(5bromo3iodo2(propan2yloxy)benzylidene)5methyl2(3(trifluoromethyl)phenyl)24dihydro3Hpyrazol3one
4(5BROMO3IODO2ISOPROPOXYBENZYLIDENE)5METHYL2(3(TRIFLUOROMETHYL)PHENYL)24DIHYDRO3HPYRAZOL3ONE
445285881
CC(Oc1c(cc(cc1I)Br)C=C1C(=NN(C1=O)c1cccc(c1)C(F)(F)F)C)C
CC1=NN(C(=O)C1=CC2=CC(=CC(=C2OC(C)C)I)Br)C3=CC=CC(=C3)C(F)(F)F
InChI=1SC21H17BrF3IN2O2c111(2)301913(715(22)1018(19)26)81712(3)2728(20(17)29)1664514(916)21(2324)25h411H13H3b178
MFCD02371794
ZINC000008444223
ZINC08444223
ZINC8444223
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