Vitas-M small molecule compound
1-(4-chlorobenzyl)-3-[3,5-dimethyl-1-(pentafluorobenzyl)-1H-pyrazol-4-yl]thiourea
Catalog ID
STK455607
SMILES S=C(Nc1c(C)nn(c1C)Cc1c(F)c(F)c(c(c1F)F)F)NCc1ccc(cc1)Cl
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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 C20H16ClF5N4S MW 474.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClF5N4S/c1-9-19(28-20(31)27-7-11-3-5-12(21)6-4-11)10(2)30(29-9)8-13-14(22)16(24)18(26)17(25)15(13)23/h3-6H,7-8H2,1-2H3,(H2,27,28,31)InChIKey
SNGRVDQOFYBXKM-UHFFFAOYSA-NSynonyms
1((4chlorophenyl)methyl)3(35dimethyl1((23456pentafluorophenyl)methyl)pyrazol4yl)thiourea
1(4chlorobenzyl)3(35dimethyl1(pentafluorobenzyl)1Hpyrazol4yl)thiourea
CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=S)NCC3=CC=C(C=C3)Cl
InChI=1SC20H16ClF5N4Sc1919(2820(31)277113512(21)6411)10(2)30(299)81314(22)16(24)18(26)17(25)15(13)23h36H78H212H3(H2272831)
MFCD04227665
ZINC000002856875
ZINC02856875
ZINC2856875
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