Vitas-M small molecule compound
2-(4-chlorophenyl)-5-methyl-5-(5-methyl-1,3-dioxan-5-yl)-1,2,4-triazolidine-3-thione
Catalog ID
STL482375
SMILES S=C1NC(NN1c1ccc(cc1)Cl)(C)C1(C)COCOC1
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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 C14H18ClN3O2S MW 327.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18ClN3O2S/c1-13(7-19-9-20-8-13)14(2)16-12(21)18(17-14)11-5-3-10(15)4-6-11/h3-6,17H,7-9H2,1-2H3,(H,16,21)InChIKey
XDVOOWITZPVAIM-UHFFFAOYSA-NSynonyms
2(4chlorophenyl)5methyl5(5methyl13dioxan5yl)124triazolidine3thione
CC1(COCOC1)C2(NC(=S)N(N2)C3=CC=C(C=C3)Cl)C
InChI=1SC14H18ClN3O2Sc113(719920813)14(2)1612(21)18(1714)115310(15)4611h3617H79H212H3(H1621)
MFCD30713300
ZINC000334161250
ZINC000334161251
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