Vitas-M small molecule compound
1-(5-chloro-2-methoxyphenyl)-3-{1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-yl}thiourea
Catalog ID
STK455284
SMILES COc1ccc(cc1NC(=S)Nc1ncn(n1)Cc1cccc(c1)C(F)(F)F)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 C18H15ClF3N5OS MW 441.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClF3N5OS/c1-28-15-6-5-13(19)8-14(15)24-17(29)25-16-23-10-27(26-16)9-11-3-2-4-12(7-11)18(20,21)22/h2-8,10H,9H2,1H3,(H2,24,25,26,29)InChIKey
LZPRGRZEGCXKGX-UHFFFAOYSA-NSynonyms
((5CHLORO2METHOXYPHENYL)AMINO)((1((3(TRIFLUOROMETHYL)PHENYL)METHYL)(124TRIAZOL3YL))AMINO)METHANE1THIONE
1(5CHLORO2METHOXYPHENYL)3(1((3(TRIFLUOROMETHYL)PHENYL)METHYL)124TRIAZOL3YL)THIOUREA
1(5chloro2methoxyphenyl)3(1(3(trifluoromethyl)benzyl)1H124triazol3yl)thiourea
COC1=C(C=C(C=C1)Cl)NC(=S)NC2=NN(C=N2)CC3=CC(=CC=C3)C(F)(F)F
InChI=1SC18H15ClF3N5OSc128156513(19)814(15)2417(29)2516231027(2616)91132412(711)18(2021)22h2810H9H21H3(H224252629)
MFCD04227388
ZINC000002858098
ZINC02858098
ZINC2858098
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