Vitas-M small molecule compound
4-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[(2-methylbenzyl)sulfanyl]methyl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK445617
SMILES COc1ccc(cc1OC)CCn1c(S)nnc1CSCc1ccccc1C
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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/c1-15-6-4-5-7-17(15)13-28-14-20-22-23-21(27)24(20)11-10-16-8-9-18(25-2)19(12-16)26-3/h4-9,12H,10-11,13-14H2,1-3H3,(H,23,27)InChIKey
WXMDGYFVBZAPKY-UHFFFAOYSA-NSynonyms
4(2(34dimethoxyphenyl)ethyl)3((2methylphenyl)methylsulfanylmethyl)1H124triazole5thione
4(2(34dimethoxyphenyl)ethyl)5(((2methylbenzyl)sulfanyl)methyl)4H124triazole3thiol
4(2(34DIMETHOXYPHENYL)ETHYL)5(((2METHYLPHENYL)METHYLTHIO)METHYL)124TRIAZOLE3THIOL
CC1=CC=CC=C1CSCC2=NNC(=S)N2CCC3=CC(=C(C=C3)OC)OC
InChI=1SC21H25N3O2S2c115645717(15)13281420222321(27)24(20)1110168918(252)19(1216)263h4912H10111314H213H3(H2327)
MFCD04058021
ZINC000006789648
ZINC06789648
ZINC6789648
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