Vitas-M small molecule compound

1-(4-chlorobenzyl)-3-[1-(pentafluorobenzyl)-1H-pyrazol-3-yl]thiourea

Catalog ID
STK455512
SMILES S=C(Nc1ccn(n1)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 C18H12ClF5N4S MW 446.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClF5N4S/c19-10-3-1-9(2-4-10)7-25-18(29)26-12-5-6-28(27-12)8-11-13(20)15(22)17(24)16(23)14(11)21/h1-6H,7-8H2,(H2,25,26,27,29)
InChIKey
FYTJQUUBHYEGPS-UHFFFAOYSA-N
Synonyms

1((4chlorophenyl)methyl)3(1((23456pentafluorophenyl)methyl)pyrazol3yl)thiourea
1(4chlorobenzyl)3(1(pentafluorobenzyl)1Hpyrazol3yl)thiourea
C1=CC(=CC=C1CNC(=S)NC2=NN(C=C2)CC3=C(C(=C(C(=C3F)F)F)F)F)Cl
InChI=1SC18H12ClF5N4Sc1910319(2410)72518(29)26125628(2712)81113(20)15(22)17(24)16(23)14(11)21h16H78H2(H225262729)
MFCD04227417
ZINC000002852712
ZINC02852712
ZINC2852712

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Available files

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