Vitas-M small molecule compound
4-(3-bromo-4-methylphenyl)-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK683753
SMILES Fc1ccc(cc1)c1n[nH]c(c1)c1nnc(n1c1ccc(c(c1)Br)C)S
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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 C18H13BrFN5S MW 430.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13BrFN5S/c1-10-2-7-13(8-14(10)19)25-17(23-24-18(25)26)16-9-15(21-22-16)11-3-5-12(20)6-4-11/h2-9H,1H3,(H,21,22)(H,24,26)InChIKey
WCGDMDHURCTXLB-UHFFFAOYSA-NSynonyms
4(3BROMO4METHYLPHENYL)3(3(4FLUOROPHENYL)1HPYRAZOL5YL)1H124TRIAZOLE5THIONE
4(3bromo4methylphenyl)5(3(4fluorophenyl)1Hpyrazol5yl)4H124triazole3thiol
CC1=C(C=C(C=C1)N2C(=NNC2=S)C3=CC(=NN3)C4=CC=C(C=C4)F)Br
Fc1ccc(cc1)c1n(nH)c(c1)c1nnc(n1c1ccc(c(c1)Br)C)S
InChI=1SC18H13BrFN5Sc1102713(814(10)19)2517(232418(25)26)16915(212216)113512(20)6411h29H1H3(H2122)(H2426)
MFCD05258691
ZINC000001423143
ZINC1423143
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