Vitas-M small molecule compound
5-[(benzylsulfanyl)methyl]-4-(3,4-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK440464
SMILES Cc1ccc(cc1C)n1c(CSCc2ccccc2)nnc1S
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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 C18H19N3S2 MW 341.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3S2/c1-13-8-9-16(10-14(13)2)21-17(19-20-18(21)22)12-23-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,20,22)InChIKey
WOUNPHHFEQSXFJ-UHFFFAOYSA-NSynonyms
3(BENZYLSULFANYLMETHYL)4(34DIMETHYLPHENYL)1H124TRIAZOLE5THIONE
4(34DIMETHYLPHENYL)5((PHENYLMETHYLTHIO)METHYL)124TRIAZOLE3THIOL
5((benzylsulfanyl)methyl)4(34dimethylphenyl)4H124triazole3thiol
CC1=C(C=C(C=C1)N2C(=NNC2=S)CSCC3=CC=CC=C3)C
InChI=1SC18H19N3S2c1138916(1014(13)2)2117(192018(21)22)122311156435715h310H1112H212H3(H2022)
MFCD03946252
ZINC000017071479
ZINC17071479
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