Vitas-M small molecule compound
5-(5-bromopyridin-3-yl)-4-(5-chloro-2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK645488
SMILES COc1ccc(cc1n1c(=S)[nH]nc1c1cncc(c1)Br)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 C14H10BrClN4OS MW 397.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10BrClN4OS/c1-21-12-3-2-10(16)5-11(12)20-13(18-19-14(20)22)8-4-9(15)7-17-6-8/h2-7H,1H3,(H,19,22)InChIKey
FZDHTVWDUVUERR-UHFFFAOYSA-NSynonyms
951986-43-93(5bromopyridin3yl)4(5chloro2methoxyphenyl)1H124triazole5thione
5(5bromopyridin3yl)4(5chloro2methoxyphenyl)24dihydro3H124triazole3thione
951986439
COC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)C3=CC(=CN=C3)Br
COc1ccc(cc1n1c(=S)(nH)nc1c1cncc(c1)Br)Cl
InChI=1SC14H10BrClN4OSc121123210(16)511(12)2013(181914(20)22)849(15)71768h27H1H3(H1922)
MFCD18163933
ZINC000013690206
ZINC13690206
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