Vitas-M small molecule compound
5-[(benzylsulfanyl)methyl]-4-(2-methoxy-5-methylphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK440476
SMILES COc1ccc(cc1n1c(CSCc2ccccc2)nnc1S)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 C18H19N3OS2 MW 357.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3OS2/c1-13-8-9-16(22-2)15(10-13)21-17(19-20-18(21)23)12-24-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,23)InChIKey
DJJNGKYSTZMVPS-UHFFFAOYSA-NSynonyms
3(BENZYLSULFANYLMETHYL)4(2METHOXY5METHYLPHENYL)1H124TRIAZOLE5THIONE
4(2METHOXY5METHYLPHENYL)5((PHENYLMETHYLTHIO)METHYL)124TRIAZOLE3THIOL
5((benzylsulfanyl)methyl)4(2methoxy5methylphenyl)4H124triazole3thiol
CC1=CC(=C(C=C1)OC)N2C(=NNC2=S)CSCC3=CC=CC=C3
InChI=1SC18H19N3OS2c1138916(222)15(1013)2117(192018(21)23)122411146435714h310H1112H212H3(H2023)
MFCD03946271
ZINC000017073846
ZINC17073846
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