Vitas-M small molecule compound
1-[(3-octyl-1H-1,2,4-triazol-5-yl)sulfanyl]propan-2-one
Catalog ID
STK549950
SMILES CCCCCCCCc1n[nH]c(n1)SCC(=O)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 C13H23N3OS MW 269.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H23N3OS/c1-3-4-5-6-7-8-9-12-14-13(16-15-12)18-10-11(2)17/h3-10H2,1-2H3,(H,14,15,16)InChIKey
DHSFRIPKVDKQRP-UHFFFAOYSA-NSynonyms
685514-51-61((3octyl1H124triazol5yl)sulfanyl)propan2one
1((3octyl1H124triazol5yl)thio)propan2one
1((5OCTYL1H124TRIAZOL3YL)SULFANYL)PROPAN2ONE
1(5OCTYL2H(124)TRIAZOL3YLSULFANYL)PROPAN2ONE
685514516
CCCCCCCCC1=NC(=NN1)SCC(=O)C
CCCCCCCCc1n(nH)c(n1)SCC(=O)C
InChI=1SC13H23N3OSc13456789121413(161512)181011(2)17h310H212H3(H141516)
MFCD03192595
ZINC000002218860
ZINC2218860
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