Vitas-M small molecule compound
5-hexyl-5-methyl-2-(4-methylphenyl)-1,2,4-triazolidine-3-thione
Catalog ID
STK759263
SMILES CCCCCCC1(C)NC(=S)N(N1)c1ccc(cc1)C
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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 C16H25N3S MW 291.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H25N3S/c1-4-5-6-7-12-16(3)17-15(20)19(18-16)14-10-8-13(2)9-11-14/h8-11,18H,4-7,12H2,1-3H3,(H,17,20)InChIKey
AOVSBDMUJYLOMN-UHFFFAOYSA-NSynonyms
5hexyl5methyl2(4methylphenyl)124triazolidine3thione
CCCCCCC1(NC(=S)N(N1)C2=CC=C(C=C2)C)C
InChI=1SC16H25N3Sc145671216(3)1715(20)19(1816)1410813(2)91114h81118H4712H213H3(H1720)
MFCD01461130
ZINC000003668065
ZINC000003668066
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