Vitas-M small molecule compound
1-(5-chloro-2-methylphenyl)-3-[1-(pentafluorobenzyl)-1H-pyrazol-3-yl]thiourea
Catalog ID
STK486835
SMILES S=C(Nc1cc(Cl)ccc1C)Nc1ccn(n1)Cc1c(F)c(F)c(c(c1F)F)F
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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 C18H12ClF5N4S MW 446.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClF5N4S/c1-8-2-3-9(19)6-11(8)25-18(29)26-12-4-5-28(27-12)7-10-13(20)15(22)17(24)16(23)14(10)21/h2-6H,7H2,1H3,(H2,25,26,27,29)InChIKey
UKMXSPMUFBCXQU-UHFFFAOYSA-NSynonyms
1(5chloro2methylphenyl)3(1((23456pentafluorophenyl)methyl)pyrazol3yl)thiourea
1(5chloro2methylphenyl)3(1(pentafluorobenzyl)1Hpyrazol3yl)thiourea
CC1=C(C=C(C=C1)Cl)NC(=S)NC2=NN(C=C2)CC3=C(C(=C(C(=C3F)F)F)F)F
InChI=1SC18H12ClF5N4Sc18239(19)611(8)2518(29)26124528(2712)71013(20)15(22)17(24)16(23)14(10)21h26H7H21H3(H225262729)
MFCD05061602
ZINC000013330380
ZINC13330380
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