Vitas-M small molecule compound
methyl 2-({[3,5-dimethyl-1-(pentafluorobenzyl)-1H-pyrazol-4-yl]carbamothioyl}amino)-5-phenylthiophene-3-carboxylate
Catalog ID
STK457549
SMILES COC(=O)c1cc(sc1NC(=S)Nc1c(C)nn(c1C)Cc1c(F)c(F)c(c(c1F)F)F)c1ccccc1
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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 C25H19F5N4O2S2 MW 566.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19F5N4O2S2/c1-11-22(12(2)34(33-11)10-15-17(26)19(28)21(30)20(29)18(15)27)31-25(37)32-23-14(24(35)36-3)9-16(38-23)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H2,31,32,37)InChIKey
UIPPNOILSFYXPV-UHFFFAOYSA-NSynonyms
CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC
InChI=1SC25H19F5N4O2S2c11122(12(2)34(3311)101517(26)19(28)21(30)20(29)18(15)27)3125(37)322314(24(35)363)916(3823)137546813h49H10H213H3(H2313237)
methyl2(((35dimethyl1(pentafluorobenzyl)1Hpyrazol4yl)carbamothioyl)amino)5phenylthiophene3carboxylate
methyl2((35dimethyl1((23456pentafluorophenyl)methyl)pyrazol4yl)carbamothioylamino)5phenylthiophene3carboxylate
MFCD05991020
ZINC000002857328
ZINC2857328
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