Vitas-M small molecule compound
ethyl 2-amino-4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL173739
SMILES CCOC(=O)C1=C(N)OC2=C(C1c1ccc(c(c1)COc1cc(F)ccc1[N+](=O)[O-])OC)C(=O)CCC2
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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 C26H25FN2O8 MW 512.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25FN2O8/c1-3-35-26(31)24-22(23-18(30)5-4-6-20(23)37-25(24)28)14-7-10-19(34-2)15(11-14)13-36-21-12-16(27)8-9-17(21)29(32)33/h7-12,22H,3-6,13,28H2,1-2H3InChIKey
GOQROLTYLOTOOB-UHFFFAOYSA-NSynonyms
445242-46-6445242466
CCOC(=O)C1=C(N)OC2=C(C1c1ccc(c(c1)COc1cc(F)ccc1(N+)(=O)(O))OC)C(=O)CCC2
CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)OC)COC4=C(C=CC(=C4)F)(N+)(=O)(O))C(=O)CCC2)N
ethyl2amino4(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)5oxo4678tetrahydrochromene3carboxylate
ethyl2amino4(3((5fluoro2nitrophenoxy)methyl)4methoxyphenyl)5oxo5678tetrahydro4Hchromene3carboxylate
InChI=1SC26H25FN2O8c133526(31)2422(2318(30)54620(23)3725(24)28)1471019(342)15(1114)1336211216(27)8917(21)29(32)33h71222H361328H212H3
MFCD02243955
ZINC000001003359
ZINC000001003360
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