Vitas-M small molecule compound
ethyl (2E)-2-(furan-3-ylmethylidene)-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
STK961569
SMILES CCOC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2cocc2)/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 C21H18N2O5S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S/c1-3-27-19(25)16-17-13-6-4-5-7-14(13)28-21(16,2)22-20-23(17)18(24)15(29-20)10-12-8-9-26-11-12/h4-11,16-17H,3H2,1-2H3/b15-10+InChIKey
UGPLQSYPQIYJQW-XNTDXEJSSA-NSynonyms
CCOC(=O)C1C2C3=CC=CC=C3OC1(N=C4N2C(=O)C(=CC5=COC=C5)S4)C
CCOC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2cocc2)s1
ethyl(2E)2(furan3ylmethylidene)5methyl1oxo12dihydro5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocine13carboxylate
InChI=1SC21H18N2O5Sc132719(25)161713645714(13)2821(162)222023(17)18(24)15(2920)101289261112h4111617H3H212H3b1510+
MFCD20731769
ZINC000107961906
ZINC000107961910
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