Vitas-M small molecule compound
4-(3-methylphenyl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK434511
SMILES Cc1cccc(c1)n1c(S)nnc1c1csc2c1CCCC2
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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 C17H17N3S2 MW 327.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3S2/c1-11-5-4-6-12(9-11)20-16(18-19-17(20)21)14-10-22-15-8-3-2-7-13(14)15/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,21)InChIKey
BXTRVFTYWUURSR-UHFFFAOYSA-NSynonyms
4(3methylphenyl)3(4567tetrahydro1benzothiophen3yl)1H124triazole5thione
4(3methylphenyl)5(4567tetrahydro1benzothiophen3yl)4H124triazole3thiol
CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CSC4=C3CCCC4
InChI=1SC17H17N3S2c11154612(911)2016(181917(20)21)14102215832713(14)15h46910H2378H21H3(H1921)
MFCD03942546
ZINC000017067133
ZINC17067133
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