Vitas-M small molecule compound
3-({[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl}sulfanyl)-5-[(4-bromophenoxy)methyl]-4-methyl-4H-1,2,4-triazole
Catalog ID
STK465180
SMILES Brc1ccc(cc1)OCc1nnc(n1C)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 C21H17BrN4O3S2 MW 517.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN4O3S2/c1-26-19(9-27-16-5-3-14(22)4-6-16)24-25-21(26)31-11-15-10-30-20(23-15)13-2-7-17-18(8-13)29-12-28-17/h2-8,10H,9,11-12H2,1H3InChIKey
GWIUKVXHLFVBKO-UHFFFAOYSA-NSynonyms
1((5((2(2HBENZO(34D)13DIOXOLAN5YL)(13THIAZOL4YL))METHYLTHIO)4METHYL(124TRIAZOL3YL))METHOXY)4BROMOBENZENE
2(13benzodioxol5yl)4((5((4bromophenoxy)methyl)4methyl124triazol3yl)sulfanylmethyl)13thiazole
3(((2(13benzodioxol5yl)13thiazol4yl)methyl)sulfanyl)5((4bromophenoxy)methyl)4methyl4H124triazole
CN1C(=NN=C1SCC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)COC5=CC=C(C=C5)Br
InChI=1SC21H17BrN4O3S2c12619(927165314(22)4616)242521(26)311115103020(2315)13271718(813)29122817h2810H91112H21H3
MFCD06175503
ZINC000097945253
ZINC97945253
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