Vitas-M small molecule compound
4-[2-(2,4-dimethoxyphenyl)ethyl]-5-{[(4-methylbenzyl)sulfanyl]methyl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447032
SMILES COc1cc(OC)ccc1CCn1c(CSCc2ccc(cc2)C)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 C21H25N3O2S2 MW 415.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2S2/c1-15-4-6-16(7-5-15)13-28-14-20-22-23-21(27)24(20)11-10-17-8-9-18(25-2)12-19(17)26-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,23,27)InChIKey
KDYCCSYSMULOTL-UHFFFAOYSA-NSynonyms
4(2(24dimethoxyphenyl)ethyl)3((4methylphenyl)methylsulfanylmethyl)1H124triazole5thione
4(2(24dimethoxyphenyl)ethyl)5(((4methylbenzyl)sulfanyl)methyl)4H124triazole3thiol
4(2(24DIMETHOXYPHENYL)ETHYL)5(((4METHYLPHENYL)METHYLTHIO)METHYL)124TRIAZOLE3THIOL
CC1=CC=C(C=C1)CSCC2=NNC(=S)N2CCC3=C(C=C(C=C3)OC)OC
InChI=1SC21H25N3O2S2c1154616(7515)13281420222321(27)24(20)1110178918(252)1219(17)263h4912H10111314H213H3(H2327)
MFCD04059136
ZINC000006788296
ZINC06788296
ZINC6788296
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