Vitas-M small molecule compound
ethyl 4-({[1-(pentafluorobenzyl)-1H-pyrazol-3-yl]carbamothioyl}amino)benzoate
Catalog ID
STK456416
SMILES CCOC(=O)c1ccc(cc1)NC(=S)Nc1ccn(n1)Cc1c(F)c(F)c(c(c1F)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 C20H15F5N4O2S MW 470.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15F5N4O2S/c1-2-31-19(30)10-3-5-11(6-4-10)26-20(32)27-13-7-8-29(28-13)9-12-14(21)16(23)18(25)17(24)15(12)22/h3-8H,2,9H2,1H3,(H2,26,27,28,32)InChIKey
AWLHLASYLPYXSC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=C(C(=C(C(=C3F)F)F)F)F
ethyl4(((1(pentafluorobenzyl)1Hpyrazol3yl)carbamothioyl)amino)benzoate
ethyl4((1((23456pentafluorophenyl)methyl)pyrazol3yl)carbamothioylamino)benzoate
InChI=1SC20H15F5N4O2Sc123119(30)103511(6410)2620(32)27137829(2813)91214(21)16(23)18(25)17(24)15(12)22h38H29H21H3(H226272832)
MFCD05117428
ZINC000002857817
ZINC02857817
ZINC2857817
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