Vitas-M small molecule compound
3-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-cyclohexyl-4-methyl-4H-1,2,4-triazole
Catalog ID
STK466853
SMILES Cn1c(SCc2csc(n2)c2ccc3c(c2)OCO3)nnc1C1CCCCC1
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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 C20H22N4O2S2 MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O2S2/c1-24-18(13-5-3-2-4-6-13)22-23-20(24)28-11-15-10-27-19(21-15)14-7-8-16-17(9-14)26-12-25-16/h7-10,13H,2-6,11-12H2,1H3InChIKey
BUVLROBNIJXRCZ-UHFFFAOYSA-NSynonyms
2(13benzodioxol5yl)4((5cyclohexyl4methyl124triazol3yl)sulfanylmethyl)13thiazole
3(((2(13benzodioxol5yl)13thiazol4yl)methyl)sulfanyl)5cyclohexyl4methyl4H124triazole
5((2(2HBENZO(D)13DIOXOLAN5YL)(13THIAZOL4YL))METHYLTHIO)3CYCLOHEXYL4METHYL124TRIAZOLE
CN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5CCCCC5
InChI=1SC20H22N4O2S2c12418(135324613)222320(24)281115102719(2115)14781617(914)26122516h71013H261112H21H3
MFCD06112359
ZINC000017090062
ZINC17090062
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