Vitas-M small molecule compound
5-[(4-tert-butylphenoxy)methyl]-4-cyclopentyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK891269
SMILES Sc1nnc(n1C1CCCC1)COc1ccc(cc1)C(C)(C)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 C18H25N3OS MW 331.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3OS/c1-18(2,3)13-8-10-15(11-9-13)22-12-16-19-20-17(23)21(16)14-6-4-5-7-14/h8-11,14H,4-7,12H2,1-3H3,(H,20,23)InChIKey
NEVYNMCWXSQDTM-UHFFFAOYSA-NSynonyms
3((4tertbutylphenoxy)methyl)4cyclopentyl1H124triazole5thione
5((4tertbutylphenoxy)methyl)4cyclopentyl4H124triazole3thiol
CC(C)(C)C1=CC=C(C=C1)OCC2=NNC(=S)N2C3CCCC3
InChI=1SC18H25N3OSc118(23)1381015(11913)221216192017(23)21(16)14645714h81114H4712H213H3(H2023)
MFCD09983429
ZINC000011692617
ZINC11692617
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