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methyl 2-{3-[4-(benzyloxy)-3-ethoxyphenyl]-2-methyl-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL050221
SMILES CCOc1cc(ccc1OCc1ccccc1)C1N(C)OC2C1C(=O)N(C2=O)c1sc2c(c1C(=O)OC)CCC(C2)C(C)(C)C

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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 C35H40N2O7S MW 632.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N2O7S/c1-7-42-25-17-21(13-16-24(25)43-19-20-11-9-8-10-12-20)29-28-30(44-36(29)5)32(39)37(31(28)38)33-27(34(40)41-6)23-15-14-22(35(2,3)4)18-26(23)45-33/h8-13,16-17,22,28-30H,7,14-15,18-19H2,1-6H3
InChIKey
YQTITJQOHZVGNB-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)OC)ON2C)OCC6=CC=CC=C6
InChI=1SC35H40N2O7Sc1742251721(131624(25)4319201198101220)292830(4436(29)5)32(39)37(31(28)38)3327(34(40)416)23151422(35(23)4)1826(23)4533h8131617222830H714151819H216H3
methyl2(3(4(benzyloxy)3ethoxyphenyl)2methyl46dioxohexahydro5Hpyrrolo(34d)(12)oxazol5yl)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
methyl2(3(4(benzyloxy)3ethoxyphenyl)2methyl46dioxotetrahydro2Hpyrrolo(34d)isoxazol5(3H)yl)6(tertbutyl)4567tetrahydrobenzo(b)thiophene3carboxylate
methyl6tertbutyl2(3(3ethoxy4phenylmethoxyphenyl)2methyl46dioxo3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
MFCD05736160
ZINC000102887911
ZINC000245247901

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Available files

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