Vitas-M small molecule compound
methyl 2-({[3,5-dimethyl-1-(pentafluorobenzyl)-1H-pyrazol-4-yl]carbamothioyl}amino)-5-methyl-4-phenylthiophene-3-carboxylate
Catalog ID
STK457997
SMILES COC(=O)c1c(NC(=S)Nc2c(C)nn(c2C)Cc2c(F)c(F)c(c(c2F)F)F)sc(c1c1ccccc1)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 C26H21F5N4O2S2 MW 580.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21F5N4O2S2/c1-11-23(12(2)35(34-11)10-15-18(27)20(29)22(31)21(30)19(15)28)32-26(38)33-24-17(25(36)37-4)16(13(3)39-24)14-8-6-5-7-9-14/h5-9H,10H2,1-4H3,(H2,32,33,38)InChIKey
LPKJBMCUQQJUBH-UHFFFAOYSA-NSynonyms
CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=S)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OC
InChI=1SC26H21F5N4O2S2c11123(12(2)35(3411)101518(27)20(29)22(31)21(30)19(15)28)3226(38)332417(25(36)374)16(13(3)3924)148657914h59H10H214H3(H2323338)
methyl2(((35dimethyl1(pentafluorobenzyl)1Hpyrazol4yl)carbamothioyl)amino)5methyl4phenylthiophene3carboxylate
methyl2((35dimethyl1((23456pentafluorophenyl)methyl)pyrazol4yl)carbamothioylamino)5methyl4phenylthiophene3carboxylate
MFCD05991596
ZINC000002858395
ZINC2858395
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