Vitas-M small molecule compound
4-cyclohexyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK449798
SMILES Sc1nnc(n1C1CCCCC1)c1csc2c1CCCC2
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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 C16H21N3S2 MW 319.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3S2/c20-16-18-17-15(19(16)11-6-2-1-3-7-11)13-10-21-14-9-5-4-8-12(13)14/h10-11H,1-9H2,(H,18,20)InChIKey
RXVCQOXYUNFUDX-UHFFFAOYSA-NSynonyms
4cyclohexyl3(4567tetrahydro1benzothiophen3yl)1H124triazole5thione
4cyclohexyl5(4567tetrahydro1benzothiophen3yl)4H124triazole3thiol
C1CCC(CC1)N2C(=NNC2=S)C3=CSC4=C3CCCC4
InChI=1SC16H21N3S2c2016181715(19(16)116213711)13102114954812(13)14h1011H19H2(H1820)
MFCD03468180
ZINC000002731796
ZINC02731796
ZINC2731796
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