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3-(diphenylmethyl) 1-methyl (1S,2R,3R)-1-cyano-2-(4-nitrophenyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,3-dicarboxylate

Catalog ID
STK544773
SMILES COC(=O)[C@@]1(C#N)[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](N2C1c1ccccc1C=C2)C(=O)OC(c1ccccc1)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 C35H27N3O6 MW 585.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H27N3O6/c1-43-34(40)35(22-36)29(24-16-18-27(19-17-24)38(41)42)30(37-21-20-23-10-8-9-15-28(23)32(35)37)33(39)44-31(25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-21,29-32H,1H3/t29-,30+,32?,35-/m0/s1
InChIKey
IBLOBTNDDZOBNZ-VMNHFHCOSA-N
Synonyms

(1S2R3R)3benzhydryl1methyl1cyano2(4nitrophenyl)12310btetrahydropyrrolo(21a)isoquinoline13dicarboxylate
3(diphenylmethyl)1methyl(1S2R3R)1cyano2(4nitrophenyl)12310btetrahydropyrrolo(21a)isoquinoline13dicarboxylate
3Obenzhydryl1Omethyl(1S2R3R)1cyano2(4nitrophenyl)310bdihydro2Hpyrrolo(21a)isoquinoline13dicarboxylate
COC(=O)(C@@)1(C#N)(C@@H)(c2ccc(cc2)(N+)(=O)(O))(C@@H)(N2C1c1ccccc1C=C2)C(=O)OC(c1ccccc1)c1ccccc1
COC(=O)C1(C(C(N2C1C3=CC=CC=C3C=C2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)(N+)(=O)(O))C#N
InChI=1SC35H27N3O6c14334(40)35(2236)29(24161827(191724)38(41)42)30(3721202310891528(23)32(35)37)33(39)4431(25114251225)26136371426h2212932H1H3t2930+32?35m0s1
MFCD18242174
ZINC000102439418
ZINC000102439423

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Available files

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