Vitas-M small molecule compound
4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(2,4-dichlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK851101
SMILES COc1ccc(cc1Br)/C=N/n1c(=S)[nH]nc1c1ccc(cc1Cl)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 C16H11BrCl2N4OS MW 458.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11BrCl2N4OS/c1-24-14-5-2-9(6-12(14)17)8-20-23-15(21-22-16(23)25)11-4-3-10(18)7-13(11)19/h2-8H,1H3,(H,22,25)/b20-8+InChIKey
LNNSXOLWTFNGOS-DNTJNYDQSA-NSynonyms
430457-64-04(((E)(3bromo4methoxyphenyl)methylidene)amino)5(24dichlorophenyl)24dihydro3H124triazole3thione
4((E)(3BROMO4METHOXYPHENYL)METHYLIDENEAMINO)3(24DICHLOROPHENYL)1H124TRIAZOLE5THIONE
430457640
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl)Br
COc1ccc(cc1Br)C=Nn1c(=S)(nH)nc1c1ccc(cc1Cl)Cl
InChI=1SC16H11BrCl2N4OSc12414529(612(14)17)8202315(212216(23)25)114310(18)713(11)19h28H1H3(H2225)b208+
MFCD07198984
ZINC000016956945
ZINC2210651
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