Vitas-M small molecule compound
4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL046586
SMILES COc1ccc(cc1/C=N/n1c(=S)[nH]nc1c1ccc(cc1Cl)Cl)Br
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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 C16H11BrCl2N4OS MW 458.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11BrCl2N4OS/c1-24-14-5-2-10(17)6-9(14)8-20-23-15(21-22-16(23)25)12-4-3-11(18)7-13(12)19/h2-8H,1H3,(H,22,25)/b20-8+InChIKey
AGEQPPKXSYZQIR-DNTJNYDQSA-NSynonyms
430460-02-94(((E)(5bromo2methoxyphenyl)methylidene)amino)5(24dichlorophenyl)24dihydro3H124triazole3thione
4((E)(5BROMO2METHOXYPHENYL)METHYLIDENEAMINO)3(24DICHLOROPHENYL)1H124TRIAZOLE5THIONE
430460029
COc1ccc(cc1C=Nn1c(=S)(nH)nc1c1ccc(cc1Cl)Cl)Br
InChI=1SC16H11BrCl2N4OSc124145210(17)69(14)8202315(212216(23)25)124311(18)713(12)19h28H1H3(H2225)b208+
MFCD03796824
ZINC000002269341
ZINC2269340
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