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

Catalog ID
STL052494
SMILES CCCOc1ccc(cc1OC)C1N(OC2C1C(=O)N(C2=O)c1sc2c(c1C(=O)OC)CCC(C2)C(C)(C)C)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 C35H40N2O7S MW 632.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N2O7S/c1-7-17-43-24-16-13-20(18-25(24)41-5)29-28-30(44-37(29)22-11-9-8-10-12-22)32(39)36(31(28)38)33-27(34(40)42-6)23-15-14-21(35(2,3)4)19-26(23)45-33/h8-13,16,18,21,28-30H,7,14-15,17,19H2,1-6H3
InChIKey
YLYWLVZFSPBBLJ-UHFFFAOYSA-N
Synonyms

CCCOC1=C(C=C(C=C1)C2C3C(C(=O)N(C3=O)C4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)OC)ON2C6=CC=CC=C6)OC
InChI=1SC35H40N2O7Sc17174324161320(1825(24)415)292830(4437(29)221198101222)32(39)36(31(28)38)3327(34(40)426)23151421(35(23)4)1926(23)4533h8131618212830H714151719H216H3
methyl6(tertbutyl)2(3(3methoxy4propoxyphenyl)46dioxo2phenyltetrahydro2Hpyrrolo(34d)isoxazol5(3H)yl)4567tetrahydrobenzo(b)thiophene3carboxylate
methyl6tertbutyl2(3(3methoxy4propoxyphenyl)46dioxo2phenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2(3(3methoxy4propoxyphenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
MFCD05732640
ZINC000102890089
ZINC000245247867

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Available files

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