Vitas-M small molecule compound
methyl (2E)-2-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-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
STL176240
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2ccc(c(c2)COc2cccc(c2)Cl)OC)/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 C30H25ClN2O6S MW 577.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN2O6S/c1-30-25(28(35)37-3)26(21-9-4-5-10-23(21)39-30)33-27(34)24(40-29(33)32-30)14-17-11-12-22(36-2)18(13-17)16-38-20-8-6-7-19(31)15-20/h4-15,25-26H,16H2,1-3H3/b24-14+InChIKey
ZYQONAOWIMSADU-ZVHZXABRSA-NSynonyms
1025219-18-41025219184
CC12C(C(C3=CC=CC=C3O1)N4C(=O)C(=CC5=CC(=C(C=C5)OC)COC6=CC(=CC=C6)Cl)SC4=N2)C(=O)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccc(c(c2)COc2cccc(c2)Cl)OC)s1
InChI=1SC30H25ClN2O6Sc13025(28(35)373)26(219451023(21)3930)3327(34)24(4029(33)3230)1417111222(362)18(1317)16382086719(31)1520h4152526H16H213H3b2414+
methyl(2E)2(3((3chlorophenoxy)methyl)4methoxybenzylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD03468491
ZINC000103257113
ZINC000103642296
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