Vitas-M small molecule compound
propan-2-yl {4-bromo-2-[(E)-{[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}acetate
Catalog ID
STK508963
SMILES CC(OC(=O)COc1ccc(cc1/C=N/n1c(S)nnc1c1ccc(cc1)C)Br)C
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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 C21H21BrN4O3S MW 489.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN4O3S/c1-13(2)29-19(27)12-28-18-9-8-17(22)10-16(18)11-23-26-20(24-25-21(26)30)15-6-4-14(3)5-7-15/h4-11,13H,12H2,1-3H3,(H,25,30)/b23-11+InChIKey
DLPDWKPHDHVJDE-FOKLQQMPSA-NSynonyms
CC(OC(=O)COc1ccc(cc1C=Nn1c(S)nnc1c1ccc(cc1)C)Br)C
CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=C(C=CC(=C3)Br)OCC(=O)OC(C)C
InChI=1SC21H21BrN4O3Sc113(2)2919(27)1228189817(22)1016(18)11232620(242521(26)30)156414(3)5715h41113H12H213H3(H2530)b2311+
MFCD01018464
propan2yl(4bromo2((E)((3(4methylphenyl)5sulfanyl4H124triazol4yl)imino)methyl)phenoxy)acetate
propan2yl2(4bromo2((E)(3(4methylphenyl)5sulfanylidene1H124triazol4yl)iminomethyl)phenoxy)acetate
ZINC000008384884
ZINC38744480
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