Vitas-M small molecule compound
(2E)-13-acetyl-2-({5-[(2,3-dichlorophenoxy)methyl]furan-2-yl}methylidene)-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Catalog ID
STL176239
SMILES CC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2ccc(o2)COc2cccc(c2Cl)Cl)/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 C27H20Cl2N2O5S MW 555.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20Cl2N2O5S/c1-14(32)22-24-17-6-3-4-8-19(17)36-27(22,2)30-26-31(24)25(33)21(37-26)12-15-10-11-16(35-15)13-34-20-9-5-7-18(28)23(20)29/h3-12,22,24H,13H2,1-2H3/b21-12+InChIKey
JICIUTSOEUDUOM-CIAFOILYSA-NSynonyms
1025649-86-8(2E)13acetyl2((5((23dichlorophenoxy)methyl)furan2yl)methylidene)5methyl5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocin1(2H)one
1025649868
CC(=O)C1C2C3=CC=CC=C3OC1(N=C4N2C(=O)C(=CC5=CC=C(O5)COC6=C(C(=CC=C6)Cl)Cl)S4)C
CC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccc(o2)COc2cccc(c2Cl)Cl)s1
InChI=1SC27H20Cl2N2O5Sc114(32)222417634819(17)3627(222)302631(24)25(33)21(3726)1215101116(3515)13342095718(28)23(20)29h3122224H13H212H3b2112+
MFCD03468322
ZINC000105417675
ZINC000105417678
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