Vitas-M small molecule compound
methyl 4-ethyl-5-methyl-2-({[1-(pentafluorobenzyl)-1H-pyrazol-3-yl]carbamothioyl}amino)thiophene-3-carboxylate
Catalog ID
STK455915
SMILES COC(=O)c1c(NC(=S)Nc2ccn(n2)Cc2c(F)c(F)c(c(c2F)F)F)sc(c1CC)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 C20H17F5N4O2S2 MW 504.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17F5N4O2S2/c1-4-9-8(2)33-18(12(9)19(30)31-3)27-20(32)26-11-5-6-29(28-11)7-10-13(21)15(23)17(25)16(24)14(10)22/h5-6H,4,7H2,1-3H3,(H2,26,27,28,32)InChIKey
HPQPKBNTRKIXIT-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)CC3=C(C(=C(C(=C3F)F)F)F)F)C
InChI=1SC20H17F5N4O2S2c1498(2)3318(12(9)19(30)313)2720(32)26115629(2811)71013(21)15(23)17(25)16(24)14(10)22h56H47H213H3(H226272832)
methyl4ethyl5methyl2(((1(pentafluorobenzyl)1Hpyrazol3yl)carbamothioyl)amino)thiophene3carboxylate
methyl4ethyl5methyl2((1((23456pentafluorophenyl)methyl)pyrazol3yl)carbamothioylamino)thiophene3carboxylate
MFCD04137583
ZINC000002857880
ZINC02857880
ZINC2857880
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