Vitas-M small molecule compound
3-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-cyclopentyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Catalog ID
STK465592
SMILES C=CCn1c(SCc2csc(n2)c2ccc3c(c2)OCO3)nnc1C1CCCC1
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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 C21H22N4O2S2 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S2/c1-2-9-25-19(14-5-3-4-6-14)23-24-21(25)29-12-16-11-28-20(22-16)15-7-8-17-18(10-15)27-13-26-17/h2,7-8,10-11,14H,1,3-6,9,12-13H2InChIKey
SXIBLMYFPKLKRG-UHFFFAOYSA-NSynonyms
2(13benzodioxol5yl)4((5cyclopentyl4prop2enyl124triazol3yl)sulfanylmethyl)13thiazole
3(((2(13benzodioxol5yl)13thiazol4yl)methyl)sulfanyl)5cyclopentyl4(prop2en1yl)4H124triazole
3((2(2HBENZO(34D)13DIOXOLAN5YL)(13THIAZOL4YL))METHYLTHIO)5CYCLOPENTYL4PROP2ENYL124TRIAZOLE
C=CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5CCCC5
InChI=1SC21H22N4O2S2c1292519(14534614)232421(25)291216112820(2216)15781718(1015)27132617h278101114H13691213H2
MFCD06141098
ZINC000017095067
ZINC17095067
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