Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-5-{[(4-methylbenzyl)sulfanyl]methyl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK446090
SMILES Cc1ccc(cc1)CSCc1nnc(n1c1ccc2c(c1)OCO2)S
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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 C18H17N3O2S2 MW 371.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O2S2/c1-12-2-4-13(5-3-12)9-25-10-17-19-20-18(24)21(17)14-6-7-15-16(8-14)23-11-22-15/h2-8H,9-11H2,1H3,(H,20,24)InChIKey
IHDJGHMSHRABJU-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)3((4methylphenyl)methylsulfanylmethyl)1H124triazole5thione
4(13benzodioxol5yl)5(((4methylbenzyl)sulfanyl)methyl)4H124triazole3thiol
4(2HBENZO(34D)13DIOXOLEN5YL)5(((4METHYLPHENYL)METHYLTHIO)METHYL)124TRIAZOLE3THIOL
CC1=CC=C(C=C1)CSCC2=NNC(=S)N2C3=CC4=C(C=C3)OCO4
InChI=1SC18H17N3O2S2c1122413(5312)9251017192018(24)21(17)14671516(814)23112215h28H911H21H3(H2024)
MFCD04058242
ZINC000006400780
ZINC06400780
ZINC6400780
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