Vitas-M small molecule compound
3-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-ethyl-5-(4-methoxybenzyl)-4H-1,2,4-triazole
Catalog ID
STK469922
SMILES COc1ccc(cc1)Cc1nnc(n1CC)SCc1csc(n1)c1ccc2c(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 C23H22N4O3S2 MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3S2/c1-3-27-21(10-15-4-7-18(28-2)8-5-15)25-26-23(27)32-13-17-12-31-22(24-17)16-6-9-19-20(11-16)30-14-29-19/h4-9,11-12H,3,10,13-14H2,1-2H3InChIKey
XCKFCRJWECGGDK-UHFFFAOYSA-NSynonyms
1((5((2(2HBENZO(34D)13DIOXOLAN5YL)(13THIAZOL4YL))METHYLTHIO)4ETHYL(124TRIAZOL3YL))METHYL)4METHOXYBENZENE
2(13benzodioxol5yl)4((4ethyl5((4methoxyphenyl)methyl)124triazol3yl)sulfanylmethyl)13thiazole
3(((2(13benzodioxol5yl)13thiazol4yl)methyl)sulfanyl)4ethyl5(4methoxybenzyl)4H124triazole
CCN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)OC
InChI=1SC23H22N4O3S2c132721(10154718(282)8515)252623(27)321317123122(2417)16691920(1116)30142919h491112H3101314H212H3
MFCD07186198
ZINC000020214851
ZINC20214851
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