Vitas-M small molecule compound
methyl (2E)-2-{[5-(4-bromophenyl)furan-2-yl]methylidene}-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Catalog ID
STL176238
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2ccc(o2)c2ccc(cc2)Br)/s1
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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 C26H19BrN2O5S MW 551.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19BrN2O5S/c1-26-21(24(31)32-2)22(17-5-3-4-6-19(17)34-26)29-23(30)20(35-25(29)28-26)13-16-11-12-18(33-16)14-7-9-15(27)10-8-14/h3-13,21-22H,1-2H3/b20-13+InChIKey
XGFRRPFMXUUNQU-DEDYPNTBSA-NSynonyms
1025649-44-81025649448
CC12C(C(C3=CC=CC=C3O1)N4C(=O)C(=CC5=CC=C(O5)C6=CC=C(C=C6)Br)SC4=N2)C(=O)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccc(o2)c2ccc(cc2)Br)s1
InChI=1SC26H19BrN2O5Sc12621(24(31)322)22(17534619(17)3426)2923(30)20(3525(29)2826)1316111218(3316)147915(27)10814h3132122H12H3b2013+
methyl(2E)2((5(4bromophenyl)furan2yl)methylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD03468313
ZINC000103257093
ZINC000103641816
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