Vitas-M small molecule compound
methyl (2E)-5-methyl-1-oxo-2-[(5-{[3-(trifluoromethyl)phenoxy]methyl}furan-2-yl)methylidene]-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Catalog ID
STL176678
SMILES COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2ccc(o2)COc2cccc(c2)C(F)(F)F)/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 C28H21F3N2O6S MW 570.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21F3N2O6S/c1-27-22(25(35)36-2)23(19-8-3-4-9-20(19)39-27)33-24(34)21(40-26(33)32-27)13-17-10-11-18(38-17)14-37-16-7-5-6-15(12-16)28(29,30)31/h3-13,22-23H,14H2,1-2H3/b21-13+InChIKey
JUJGVSZXPDPJBS-FYJGNVAPSA-NSynonyms
1025316-25-91025316259
CC12C(C(C3=CC=CC=C3O1)N4C(=O)C(=CC5=CC=C(O5)COC6=CC=CC(=C6)C(F)(F)F)SC4=N2)C(=O)OC
COC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccc(o2)COc2cccc(c2)C(F)(F)F)s1
InChI=1SC28H21F3N2O6Sc12722(25(35)362)23(19834920(19)3927)3324(34)21(4026(33)3227)1317101118(3817)14371675615(1216)28(2930)31h3132223H14H212H3b2113+
methyl(2E)5methyl1oxo2((5((3(trifluoromethyl)phenoxy)methyl)furan2yl)methylidene)12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
MFCD04050206
ZINC000102442554
ZINC000102442561
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