Vitas-M small molecule compound
methyl 4-[(E)-{[3-(2,4-dichlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Catalog ID
STL047475
SMILES COC(=O)c1ccc(cc1)/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 C17H12Cl2N4O2S MW 407.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12Cl2N4O2S/c1-25-16(24)11-4-2-10(3-5-11)9-20-23-15(21-22-17(23)26)13-7-6-12(18)8-14(13)19/h2-9H,1H3,(H,22,26)/b20-9+InChIKey
FRHHWAXXQQJXPQ-AWQFTUOYSA-NSynonyms
430452-35-0430452350
COC(=O)c1ccc(cc1)C=Nn1c(=S)(nH)nc1c1ccc(cc1Cl)Cl
InChI=1SC17H12Cl2N4O2Sc12516(24)114210(3511)9202315(212217(23)26)137612(18)814(13)19h29H1H3(H2226)b209+
methyl4((E)((3(24dichlorophenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoate
METHYL4((E)(3(24DICHLOROPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOATE
MFCD03801664
ZINC000002322012
ZINC2322011
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