Vitas-M small molecule compound
4-(2-methylpropyl)-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK449919
SMILES CC(Cn1c(S)nnc1c1csc2c1CCC(C2)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/c1-9(2)7-18-14(16-17-15(18)19)12-8-20-13-6-10(3)4-5-11(12)13/h8-10H,4-7H2,1-3H3,(H,17,19)InChIKey
OTZBMWRKSXNRMG-UHFFFAOYSA-NSynonyms
4(2methylpropyl)3(6methyl4567tetrahydro1benzothiophen3yl)1H124triazole5thione
4(2methylpropyl)5(6methyl4567tetrahydro1benzothiophen3yl)4H124triazole3thiol
CC1CCC2=C(C1)SC=C2C3=NNC(=S)N3CC(C)C
InChI=1SC15H21N3S2c19(2)71814(161715(18)19)1282013610(3)4511(12)13h810H47H213H3(H1719)
MFCD03467292
ZINC000006556190
ZINC000006556255
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