Vitas-M small molecule compound
methyl 3-[(9-fluoro-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)methyl]-4-methoxybenzoate
Catalog ID
STK597785
SMILES COC(=O)c1ccc(c(c1)Cn1c2ccc(cc2c2c1c(=O)n1CCSc1n2)F)OC
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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 C22H18FN3O4S MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN3O4S/c1-29-17-6-3-12(21(28)30-2)9-13(17)11-26-16-5-4-14(23)10-15(16)18-19(26)20(27)25-7-8-31-22(25)24-18/h3-6,9-10H,7-8,11H2,1-2H3InChIKey
CUPVGNONZGQANU-UHFFFAOYSA-NSynonyms
898920-38-2898920382
COC1=C(C=C(C=C1)C(=O)OC)CN2C3=C(C=C(C=C3)F)C4=C2C(=O)N5CCSC5=N4
InChI=1SC22H18FN3O4Sc129176312(21(28)302)913(17)1126165414(23)1015(16)1819(26)20(27)25783122(25)2418h36910H7811H212H3
methyl3((9fluoro5oxo23dihydro(13)thiazolo(3212)pyrimido(54b)indol6(5H)yl)methyl)4methoxybenzoate
methyl3((9fluoro5oxo23dihydrothiazolo(3212)pyrimido(54b)indol6(5H)yl)methyl)4methoxybenzoate
MFCD07640980
ZINC000009129715
ZINC09129715
ZINC9129715
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