Vitas-M small molecule compound
4-(2-bromo-4-methylphenyl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK592480
SMILES Cc1ccc(c(c1)Br)n1c(=S)[nH]nc1c1[nH]nc(c1)c1ccco1
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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 C16H12BrN5OS MW 402.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrN5OS/c1-9-4-5-13(10(17)7-9)22-15(20-21-16(22)24)12-8-11(18-19-12)14-3-2-6-23-14/h2-8H,1H3,(H,18,19)(H,21,24)InChIKey
ZPOMFEHBKFPZBT-UHFFFAOYSA-NSynonyms
955899-86-24(2BROMO4METHYLPHENYL)3(5(FURAN2YL)1HPYRAZOL3YL)1H124TRIAZOLE5THIONE
4(2bromo4methylphenyl)5(3(furan2yl)1Hpyrazol5yl)24dihydro3H124triazole3thione
4(2BROMO4METHYLPHENYL)5(5FURAN2YL2HPYRAZOL3YL)4H(124)TRIAZOLE3THIOL
955899862
CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4)Br
Cc1ccc(c(c1)Br)n1c(=S)(nH)nc1c1(nH)nc(c1)c1ccco1
InChI=1SC16H12BrN5OSc194513(10(17)79)2215(202116(22)24)12811(181912)143262314h28H1H3(H1819)(H2124)
MFCD07202450
ZINC000009110782
ZINC9110782
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