Vitas-M small molecule compound
methyl 4-(5-{(Z)-[5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK050225
SMILES COC(=O)c1ccc(cc1)c1ccc(o1)/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 C23H16F3N3O6S MW 519.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16F3N3O6S/c1-34-22(31)14-4-2-13(3-5-14)19-11-8-16(35-19)12-18-20(23(24,25)26)28-29(21(18)30)15-6-9-17(10-7-15)36(27,32)33/h2-12H,1H3,(H2,27,32,33)/b18-12-InChIKey
NXEWRJXHTCGJOS-PDGQHHTCSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)N)C(F)(F)F
COC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)S(=O)(=O)N
InChI=1SC23H16F3N3O6Sc13422(31)144213(3514)1911816(3519)121820(23(2425)26)2829(21(18)30)156917(10715)36(2732)33h212H1H3(H2273233)b1812
METHYL4(5((Z)(5OXO1(4SULFAMOYLPHENYL)3(TRIFLUOROMETHYL)15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOATE
METHYL4(5((Z)(5OXO1(4SULFAMOYLPHENYL)3(TRIFLUOROMETHYL)PYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOATE
MFCD03307294
STK050225
ZINC000100165666
ZINC100165666
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