Vitas-M small molecule compound
4-methyl-5-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STL367682
SMILES Cc1cc2OCCCOc2cc1Cc1nnc(n1C)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 C14H17N3O2S MW 291.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O2S/c1-9-6-11-12(19-5-3-4-18-11)7-10(9)8-13-15-16-14(20)17(13)2/h6-7H,3-5,8H2,1-2H3,(H,16,20)InChIKey
IKHGNTBSHMNRTD-UHFFFAOYSA-NSynonyms
4methyl3((8methyl34dihydro2H15benzodioxepin7yl)methyl)1H124triazole5thione
4methyl5((8methyl34dihydro2H15benzodioxepin7yl)methyl)4H124triazole3thiol
CC1=CC2=C(C=C1CC3=NNC(=S)N3C)OCCCO2
InChI=1SC14H17N3O2Sc1961112(195341811)710(9)813151614(20)17(13)2h67H358H212H3(H1620)
MFCD27966542
ZINC000098063807
ZINC98063807
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