Vitas-M small molecule compound
1-[1-(pentafluorobenzyl)-1H-pyrazol-3-yl]-3-[2-(trifluoromethyl)phenyl]thiourea
Catalog ID
STK457214
SMILES S=C(Nc1ccccc1C(F)(F)F)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 C18H10F8N4S MW 466.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H10F8N4S/c19-12-8(13(20)15(22)16(23)14(12)21)7-30-6-5-11(29-30)28-17(31)27-10-4-2-1-3-9(10)18(24,25)26/h1-6H,7H2,(H2,27,28,29,31)InChIKey
AFAZUGVQACZXMQ-UHFFFAOYSA-NSynonyms
1(1((23456pentafluorophenyl)methyl)pyrazol3yl)3(2(trifluoromethyl)phenyl)thiourea
1(1(pentafluorobenzyl)1Hpyrazol3yl)3(2(trifluoromethyl)phenyl)thiourea
C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NC2=NN(C=C2)CC3=C(C(=C(C(=C3F)F)F)F)F
InChI=1SC18H10F8N4Sc19128(13(20)15(22)16(23)14(12)21)7306511(2930)2817(31)271042139(10)18(2425)26h16H7H2(H227282931)
MFCD05118368
ZINC000002857477
ZINC2857477
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