Vitas-M small molecule compound
1-(4-chlorophenyl)-2-{3-[(phenylsulfanyl)methyl]-4-(prop-2-en-1-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}ethanone
Catalog ID
STL271763
SMILES C=CCn1c(CSc2ccccc2)nn(c1=S)CC(=O)c1ccc(cc1)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 C20H18ClN3OS2 MW 415.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3OS2/c1-2-12-23-19(14-27-17-6-4-3-5-7-17)22-24(20(23)26)13-18(25)15-8-10-16(21)11-9-15/h2-11H,1,12-14H2InChIKey
MCCMAUVZNMOYDS-UHFFFAOYSA-NSynonyms
1(4chlorophenyl)2(3((phenylsulfanyl)methyl)4(prop2en1yl)5thioxo45dihydro1H124triazol1yl)ethanone
1(4CHLOROPHENYL)2(3(PHENYLSULFANYLMETHYL)4PROP2ENYL5SULFANYLIDENE124TRIAZOL1YL)ETHANONE
1(4CHLOROPHENYL)2(3(PHENYLTHIOMETHYL)4PROP2ENYL5THIOXO(124TRIAZOLINYL))ETHAN1ONE
C=CCN1C(=NN(C1=S)CC(=O)C2=CC=C(C=C2)Cl)CSC3=CC=CC=C3
InChI=1SC20H18ClN3OS2c12122319(1427176435717)2224(20(23)26)1318(25)1581016(21)11915h211H11214H2
MFCD06736147
ZINC000006856361
ZINC06856361
ZINC6856361
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