Vitas-M small molecule compound
1-[3,5-dimethyl-1-(pentafluorobenzyl)-1H-pyrazol-4-yl]-3-propan-2-ylthiourea
Catalog ID
STK487208
SMILES CC(NC(=S)Nc1c(C)nn(c1C)Cc1c(F)c(F)c(c(c1F)F)F)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 C16H17F5N4S MW 392.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17F5N4S/c1-6(2)22-16(26)23-15-7(3)24-25(8(15)4)5-9-10(17)12(19)14(21)13(20)11(9)18/h6H,5H2,1-4H3,(H2,22,23,26)InChIKey
YLDPTIOVPBAEDI-UHFFFAOYSA-NSynonyms
1(35dimethyl1((23456pentafluorophenyl)methyl)pyrazol4yl)3propan2ylthiourea
1(35dimethyl1(pentafluorobenzyl)1Hpyrazol4yl)3propan2ylthiourea
CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=S)NC(C)C
InChI=1SC16H17F5N4Sc16(2)2216(26)23157(3)2425(8(15)4)5910(17)12(19)14(21)13(20)11(9)18h6H5H214H3(H2222326)
MFCD06140997
ZINC000013331003
ZINC13331003
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