Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-4-ethyl-5-({[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazole
Catalog ID
STK474129
SMILES CCn1c(SCc2csc(n2)c2cccc(c2)C)nnc1c1ccc2c(c1)OCO2
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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 C22H20N4O2S2 MW 436.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O2S2/c1-3-26-20(15-7-8-18-19(10-15)28-13-27-18)24-25-22(26)30-12-17-11-29-21(23-17)16-6-4-5-14(2)9-16/h4-11H,3,12-13H2,1-2H3InChIKey
LIFXFFUIAGYACD-UHFFFAOYSA-NSynonyms
3(13benzodioxol5yl)4ethyl5(((2(3methylphenyl)13thiazol4yl)methyl)sulfanyl)4H124triazole
4((5(13benzodioxol5yl)4ethyl124triazol3yl)sulfanylmethyl)2(3methylphenyl)13thiazole
CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC(=CC=C3)C)C4=CC5=C(C=C4)OCO5
InChI=1SC22H20N4O2S2c132620(15781819(1015)28132718)242522(26)301217112921(2317)1664514(2)916h411H31213H212H3
MFCD07612723
ZINC000017100553
ZINC17100553
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