Vitas-M small molecule compound
4-[(E)-{[3-(2,4-dichlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]-2-methoxyphenyl acetate
Catalog ID
STL149306
SMILES COc1cc(ccc1OC(=O)C)/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 C18H14Cl2N4O3S MW 437.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14Cl2N4O3S/c1-10(25)27-15-6-3-11(7-16(15)26-2)9-21-24-17(22-23-18(24)28)13-5-4-12(19)8-14(13)20/h3-9H,1-2H3,(H,23,28)/b21-9+InChIKey
OQGIJTRPWWJJSD-ZVBGSRNCSA-NSynonyms
380462-28-2(4((E)(3(24DICHLOROPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)2METHOXYPHENYL)ACETATE
380462282
4((E)((3(24dichlorophenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)2methoxyphenylacetate
COc1cc(ccc1OC(=O)C)C=Nn1c(=S)(nH)nc1c1ccc(cc1Cl)Cl
InChI=1SC18H14Cl2N4O3Sc110(25)27156311(716(15)262)9212417(222318(24)28)135412(19)814(13)20h39H12H3(H2328)b219+
MFCD03797129
ZINC000002343084
ZINC2343082
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