Vitas-M small molecule compound
5-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK434046
SMILES Cn1c(S)nnc1c1csc2c1CCC(C2)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 C15H21N3S2 MW 307.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21N3S2/c1-15(2,3)9-5-6-10-11(8-20-12(10)7-9)13-16-17-14(19)18(13)4/h8-9H,5-7H2,1-4H3,(H,17,19)InChIKey
ITZRENALTDLJBF-UHFFFAOYSA-NSynonyms
3(6tertbutyl4567tetrahydro1benzothiophen3yl)4methyl1H124triazole5thione
5(6tertbutyl4567tetrahydro1benzothiophen3yl)4methyl4H124triazole3thiol
CC(C)(C)C1CCC2=C(C1)SC=C2C3=NNC(=S)N3C
InChI=1SC15H21N3S2c115(23)9561011(82012(10)79)13161714(19)18(13)4h89H57H214H3(H1719)
MFCD03423451
ZINC000006563407
ZINC000006563421
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