Vitas-M small molecule compound
2-(4-chlorophenyl)-5-ethyl-5-hexyl-1,2,4-triazolidine-3-thione
Catalog ID
STK983703
SMILES CCCCCCC1(CC)NC(=S)N(N1)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 C16H24ClN3S MW 325.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H24ClN3S/c1-3-5-6-7-12-16(4-2)18-15(21)20(19-16)14-10-8-13(17)9-11-14/h8-11,19H,3-7,12H2,1-2H3,(H,18,21)InChIKey
ICNVXUYBYAAWAP-UHFFFAOYSA-NSynonyms
2(4chlorophenyl)5ethyl5hexyl124triazolidine3thione
CCCCCCC1(NC(=S)N(N1)C2=CC=C(C=C2)Cl)CC
InChI=1SC16H24ClN3Sc135671216(42)1815(21)20(1916)1410813(17)91114h81119H3712H212H3(H1821)
MFCD02374241
ZINC000002776218
ZINC000002776219
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