Vitas-M small molecule compound

5-octyl-2-phenyl-5-propyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol

Catalog ID
STL037873
SMILES CCCC1(CCCCCCCC)N=C(N(N1)c1ccccc1)S

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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 C19H31N3S MW 333.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31N3S/c1-3-5-6-7-8-12-16-19(15-4-2)20-18(23)22(21-19)17-13-10-9-11-14-17/h9-11,13-14,21H,3-8,12,15-16H2,1-2H3,(H,20,23)
InChIKey
SVFWQBVHZNPQQO-UHFFFAOYSA-N
Synonyms
346000-40-6
346000406
5octyl2phenyl5propyl25dihydro1H124triazole3thiol
CCCCCCCCC1(NC(=S)N(N1)C2=CC=CC=C2)CCC
InChI=1SC19H31N3Sc135678121619(1542)2018(23)22(2119)1713109111417h911131421H38121516H212H3(H2023)
MFCD03802486

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.