Vitas-M small molecule compound
methyl (2E)-2-({5-[(2,3-dichlorophenoxy)methyl]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
STL176237
SMILES COC(=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 C27H20Cl2N2O6S MW 571.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20Cl2N2O6S/c1-27-21(25(33)34-2)23(16-6-3-4-8-18(16)37-27)31-24(32)20(38-26(31)30-27)12-14-10-11-15(36-14)13-35-19-9-5-7-17(28)22(19)29/h3-12,21,23H,13H2,1-2H3/b20-12+InChIKey
JUYCYJZDUAAFPG-UDWIEESQSA-NSynonyms
1024742-06-01024742060
CC12C(C(C3=CC=CC=C3O1)N4C(=O)C(=CC5=CC=C(O5)COC6=C(C(=CC=C6)Cl)Cl)SC4=N2)C(=O)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccc(o2)COc2cccc(c2Cl)Cl)s1
InChI=1SC27H20Cl2N2O6Sc12721(25(33)342)23(16634818(16)3727)3124(32)20(3826(31)3027)1214101115(3614)13351995717(28)22(19)29h3122123H13H212H3b2012+
methyl(2E)2((5((23dichlorophenoxy)methyl)furan2yl)methylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD03468449
ZINC000103257079
ZINC000103642163
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