Vitas-M small molecule compound

1-(4-methylbenzyl)-3-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]thiourea

Catalog ID
STK454366
SMILES S=C(Nc1ccn(n1)Cc1c(F)c(F)cc(c1F)F)NCc1ccc(cc1)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 C19H16F4N4S MW 408.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16F4N4S/c1-11-2-4-12(5-3-11)9-24-19(28)25-16-6-7-27(26-16)10-13-17(22)14(20)8-15(21)18(13)23/h2-8H,9-10H2,1H3,(H2,24,25,26,28)
InChIKey
QZQJUKQTSINLTF-UHFFFAOYSA-N
Synonyms

1((4methylphenyl)methyl)3(1((2356tetrafluorophenyl)methyl)pyrazol3yl)thiourea
1(4methylbenzyl)3(1(2356tetrafluorobenzyl)1Hpyrazol3yl)thiourea
CC1=CC=C(C=C1)CNC(=S)NC2=NN(C=C2)CC3=C(C(=CC(=C3F)F)F)F
InChI=1SC19H16F4N4Sc1112412(5311)92419(28)25166727(2616)101317(22)14(20)815(21)18(13)23h28H910H21H3(H224252628)
MFCD04226836
ZINC000017087889
ZINC17087889

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.