Vitas-M small molecule compound
4-[(4Z)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide
Catalog ID
STL378494
SMILES CC1Cc2c(O1)ccc(c2)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)S(=O)(=O)N
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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 C20H16F3N3O4S MW 451.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3N3O4S/c1-11-8-13-9-12(2-7-17(13)30-11)10-16-18(20(21,22)23)25-26(19(16)27)14-3-5-15(6-4-14)31(24,28)29/h2-7,9-11H,8H2,1H3,(H2,24,28,29)/b16-10-InChIKey
QMKIPXMXSZXUOT-YBEGLDIGSA-NSynonyms
4((4Z)4((2methyl23dihydro1benzofuran5yl)methylidene)5oxo3(trifluoromethyl)45dihydro1Hpyrazol1yl)benzenesulfonamide
4((4Z)4((2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5OXO3(TRIFLUOROMETHYL)PYRAZOL1YL)BENZENESULFONAMIDE
CC1CC2=C(O1)C=CC(=C2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)N)C(F)(F)F
CC1Cc2c(O1)ccc(c2)C=C1C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)S(=O)(=O)N
InChI=1SC20H16F3N3O4Sc111813912(2717(13)3011)101618(20(2122)23)2526(19(16)27)143515(6414)31(2428)29h27911H8H21H3(H2242829)b1610
MFCD03307222
ZINC000001414445
ZINC000016247855
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