Vitas-M small molecule compound
1,5-dimethyl-2-phenyl-4-{[(2E)-1,1,1-trifluoro-4-oxo-4-(thiophen-2-yl)but-2-en-2-yl]amino}-1,2-dihydro-3H-pyrazol-3-one
Catalog ID
STK066828
SMILES O=C(c1cccs1)/C=C(\C(F)(F)F)/Nc1c(C)n(n(c1=O)c1ccccc1)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 C19H16F3N3O2S MW 407.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16F3N3O2S/c1-12-17(18(27)25(24(12)2)13-7-4-3-5-8-13)23-16(19(20,21)22)11-14(26)15-9-6-10-28-15/h3-11,23H,1-2H3/b16-11+InChIKey
QIJVWFKASZGRIM-LFIBNONCSA-NSynonyms
15DIMETHYL2PHENYL4(((2E)111TRIFLUORO4OXO4(THIOPHEN2YL)BUT2EN2YL)AMINO)12DIHYDRO3HPYRAZOL3ONE
15DIMETHYL2PHENYL4(((E)111TRIFLUORO4OXO4THIOPHEN2YLBUT2EN2YL)AMINO)PYRAZOL3ONE
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=CC(=O)C3=CC=CS3)C(F)(F)F
InChI=1SC19H16F3N3O2Sc11217(18(27)25(24(12)2)137435813)2316(19(2021)22)1114(26)1596102815h31123H12H3b1611+
MFCD03032997
O=C(c1cccs1)C=C(C(F)(F)F)Nc1c(C)n(n(c1=O)c1ccccc1)C
STK066828
ZINC000004598719
ZINC04598719
ZINC4598719
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