Vitas-M small molecule compound
3-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-(2-cyclohexylethyl)-4-methyl-4H-1,2,4-triazole
Catalog ID
STK465449
SMILES Cn1c(SCc2csc(n2)c2ccc3c(c2)OCO3)nnc1CCC1CCCCC1
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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 C22H26N4O2S2 MW 442.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O2S2/c1-26-20(10-7-15-5-3-2-4-6-15)24-25-22(26)30-13-17-12-29-21(23-17)16-8-9-18-19(11-16)28-14-27-18/h8-9,11-12,15H,2-7,10,13-14H2,1H3InChIKey
XDBWXEFRIJEYOC-UHFFFAOYSA-NSynonyms
2(13benzodioxol5yl)4((5(2cyclohexylethyl)4methyl124triazol3yl)sulfanylmethyl)13thiazole
3(((2(13benzodioxol5yl)13thiazol4yl)methyl)sulfanyl)5(2cyclohexylethyl)4methyl4H124triazole
3((2(2HBENZO(34D)13DIOXOLAN5YL)(13THIAZOL4YL))METHYLTHIO)5(2CYCLOHEXYLETHYL)4METHYL124TRIAZOLE
CN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)CCC5CCCCC5
InChI=1SC22H26N4O2S2c12620(107155324615)242522(26)301317122921(2317)16891819(1116)28142718h89111215H27101314H21H3
MFCD06756104
ZINC000019637017
ZINC19637017
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