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methyl 2-[3-(5-bromo-2-methoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK568043
SMILES COC(=O)c1c(sc2c1CCC(C2)C(C)(C)C)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc(Br)ccc1OC

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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 C32H33BrN2O6S MW 653.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33BrN2O6S/c1-32(2,3)17-11-13-20-23(15-17)42-30(24(20)31(38)40-5)34-28(36)25-26(21-16-18(33)12-14-22(21)39-4)35(41-27(25)29(34)37)19-9-7-6-8-10-19/h6-10,12,14,16-17,25-27H,11,13,15H2,1-5H3
InChIKey
SKWSTHUBXPHTHA-UHFFFAOYSA-N
Synonyms

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5)C6=C(C=CC(=C6)Br)OC
InChI=1SC32H33BrN2O6Sc132(23)1711132023(1517)4230(24(20)31(38)405)3428(36)2526(211618(33)121422(21)394)35(4127(25)29(34)37)1997681019h610121416172527H111315H215H3
methyl2(3(5bromo2methoxyphenyl)46dioxo2phenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
methyl2(3(5bromo2methoxyphenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
methyl2(3(5bromo2methoxyphenyl)46dioxo2phenyltetrahydro2Hpyrrolo(34d)isoxazol5(3H)yl)6(tertbutyl)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD05737289
ZINC000229949569
ZINC000245328151

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Available files

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