Vitas-M small molecule compound
4-ethyl-5-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STL367683
SMILES CCn1c(nnc1S)Cc1cc2OCCCOc2cc1C
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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 C15H19N3O2S MW 305.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N3O2S/c1-3-18-14(16-17-15(18)21)9-11-8-13-12(7-10(11)2)19-5-4-6-20-13/h7-8H,3-6,9H2,1-2H3,(H,17,21)InChIKey
WANRTJJQCMDSBX-UHFFFAOYSA-NSynonyms
4ethyl3((8methyl34dihydro2H15benzodioxepin7yl)methyl)1H124triazole5thione
4ethyl5((8methyl34dihydro2H15benzodioxepin7yl)methyl)4H124triazole3thiol
CCN1C(=NNC1=S)CC2=CC3=C(C=C2C)OCCCO3
InChI=1SC15H19N3O2Sc131814(161715(18)21)91181312(710(11)2)195462013h78H369H212H3(H1721)
MFCD27966543
ZINC000098063808
ZINC98063808
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