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2-ethyl 4-methyl 5-[3-{3-methoxy-4-[(phenylcarbonyl)oxy]phenyl}-2-(3-nitrophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-3-methylthiophene-2,4-dicarboxylate

Catalog ID
STL053135
SMILES CCOC(=O)c1sc(c(c1C)C(=O)OC)N1C(=O)C2C(C1=O)C(N(O2)c1cccc(c1)[N+](=O)[O-])c1ccc(c(c1)OC)OC(=O)c1ccccc1

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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 C35H29N3O12S MW 715.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29N3O12S/c1-5-48-35(43)29-18(2)25(34(42)47-4)32(51-29)36-30(39)26-27(37(50-28(26)31(36)40)21-12-9-13-22(17-21)38(44)45)20-14-15-23(24(16-20)46-3)49-33(41)19-10-7-6-8-11-19/h6-17,26-28H,5H2,1-4H3
InChIKey
FXZOKGRNFKHJRE-UHFFFAOYSA-N
Synonyms

2ethyl4methyl5(3(3methoxy4((phenylcarbonyl)oxy)phenyl)2(3nitrophenyl)46dioxohexahydro5Hpyrrolo(34d)(12)oxazol5yl)3methylthiophene24dicarboxylate
2ethyl4methyl5(3(4(benzoyloxy)3methoxyphenyl)2(3nitrophenyl)46dioxotetrahydro2Hpyrrolo(34d)isoxazol5(3H)yl)3methylthiophene24dicarboxylate
2OETHYL4OMETHYL5(3(4BENZOYLOXY3METHOXYPHENYL)2(3NITROPHENYL)46DIOXO3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL5YL)3METHYLTHIOPHENE24DICARBOXYLATE
CCOC(=O)C1=C(C(=C(S1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC(=C(C=C5)OC(=O)C6=CC=CC=C6)OC)C(=O)OC)C
CCOC(=O)c1sc(c(c1C)C(=O)OC)N1C(=O)C2C(C1=O)C(N(O2)c1cccc(c1)(N+)(=O)(O))c1ccc(c(c1)OC)OC(=O)c1ccccc1
InChI=1SC35H29N3O12Sc154835(43)2918(2)25(34(42)474)32(5129)3630(39)2627(37(5028(26)31(36)40)211291322(1721)38(44)45)20141523(24(1620)463)4933(41)19107681119h6172628H5H214H3
MFCD05738847
ZINC000150657829
ZINC000245245686

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Available files

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