Vitas-M small molecule compound
1-(3,4-dichlorophenyl)-3-[1-(pentafluorobenzyl)-1H-pyrazol-3-yl]thiourea
Catalog ID
STK454374
SMILES S=C(Nc1ccn(n1)Cc1c(F)c(F)c(c(c1F)F)F)Nc1ccc(c(c1)Cl)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 C17H9Cl2F5N4S MW 467.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H9Cl2F5N4S/c18-9-2-1-7(5-10(9)19)25-17(29)26-11-3-4-28(27-11)6-8-12(20)14(22)16(24)15(23)13(8)21/h1-5H,6H2,(H2,25,26,27,29)InChIKey
RCJIGOTWCSCGTB-UHFFFAOYSA-NSynonyms
1(34dichlorophenyl)3(1((23456pentafluorophenyl)methyl)pyrazol3yl)thiourea
1(34dichlorophenyl)3(1(pentafluorobenzyl)1Hpyrazol3yl)thiourea
C1=CC(=C(C=C1NC(=S)NC2=NN(C=C2)CC3=C(C(=C(C(=C3F)F)F)F)F)Cl)Cl
InChI=1SC17H9Cl2F5N4Sc189217(510(9)19)2517(29)26113428(2711)6812(20)14(22)16(24)15(23)13(8)21h15H6H2(H225262729)
MFCD04226766
ZINC000020436289
ZINC20436289
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