Vitas-M small molecule compound
(4Z)-2-(4-chlorophenyl)-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK037908
SMILES Clc1ccc(cc1)N1N=C(/C(=C/c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/C1=O)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 C21H11ClF3N3O4 MW 461.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H11ClF3N3O4/c22-13-3-7-14(8-4-13)27-20(29)17(19(26-27)21(23,24)25)11-16-9-10-18(32-16)12-1-5-15(6-2-12)28(30)31/h1-11H/b17-11-InChIKey
LUAFGPNLOUBTGR-BOPFTXTBSA-NSynonyms
(4Z)2(4CHLOROPHENYL)4((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)2(4CHLOROPHENYL)4((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)Cl)C(F)(F)F)(N+)(=O)(O)
Clc1ccc(cc1)N1N=C(C(=Cc2ccc(o2)c2ccc(cc2)(N+)(=O)(O))C1=O)C(F)(F)F
InChI=1SC21H11ClF3N3O4c22133714(8413)2720(29)17(19(2627)21(2324)25)111691018(3216)121515(6212)28(30)31h111Hb1711
MFCD02909427
STK037908
ZINC000013942206
ZINC13942206
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