Vitas-M small molecule compound
1-(1,3-benzodioxol-5-yl)-2-[(5-{[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Catalog ID
STK664958
SMILES Cc1ccc(c(c1)n1nc2c(n1)cccc2)OCc1nnc(n1C)SCC(=O)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 C26H22N6O4S MW 514.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N6O4S/c1-16-7-9-22(20(11-16)32-29-18-5-3-4-6-19(18)30-32)34-13-25-27-28-26(31(25)2)37-14-21(33)17-8-10-23-24(12-17)36-15-35-23/h3-12H,13-15H2,1-2H3InChIKey
VBVOZKIODOHZEC-UHFFFAOYSA-NSynonyms
1(13benzodioxol5yl)2((5((2(2Hbenzotriazol2yl)4methylphenoxy)methyl)4methyl4H124triazol3yl)sulfanyl)ethanone
1(13BENZODIOXOL5YL)2((5((2(BENZOTRIAZOL2YL)4METHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ETHANONE
CC1=CC(=C(C=C1)OCC2=NN=C(N2C)SCC(=O)C3=CC4=C(C=C3)OCO4)N5N=C6C=CC=CC6=N5
InChI=1SC26H22N6O4Sc1167922(20(1116)322918534619(18)3032)341325272826(31(25)2)371421(33)178102324(1217)36153523h312H1315H212H3
MFCD07658325
ZINC000012447411
ZINC12447411
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