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methyl (1R,2S,3S)-3-[(4-chlorophenyl)carbamoyl]-1-cyano-2-(3,4-dimethoxyphenyl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxylate

Catalog ID
STK546069
SMILES COC(=O)[C@]1(C#N)[C@H](c2ccc(c(c2)OC)OC)[C@H](N2C1c1ccccc1C=C2)C(=O)Nc1ccc(cc1)Cl

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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 C30H26ClN3O5 MW 544.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O5/c1-37-23-13-8-19(16-24(23)38-2)25-26(28(35)33-21-11-9-20(31)10-12-21)34-15-14-18-6-4-5-7-22(18)27(34)30(25,17-32)29(36)39-3/h4-16,25-27H,1-3H3,(H,33,35)/t25-,26+,27?,30-/m1/s1
InChIKey
VCWMCJWMEVECJY-FAEYSPDLSA-N
Synonyms
1014083-22-7
(1R2S3S)methyl3((4chlorophenyl)carbamoyl)1cyano2(34dimethoxyphenyl)12310btetrahydropyrrolo(21a)isoquinoline1carboxylate
1014083227
COC(=O)(C@)1(C#N)(C@H)(c2ccc(c(c2)OC)OC)(C@H)(N2C1c1ccccc1C=C2)C(=O)Nc1ccc(cc1)Cl
COC1=C(C=C(C=C1)C2C(N3C=CC4=CC=CC=C4C3C2(C#N)C(=O)OC)C(=O)NC5=CC=C(C=C5)Cl)OC
InChI=1SC30H26ClN3O5c1372313819(1624(23)382)2526(28(35)332111920(31)101221)34151418645722(18)27(34)30(251732)29(36)393h4162527H13H3(H3335)t2526+27?30m1s1
methyl(1R2S3S)3((4chlorophenyl)carbamoyl)1cyano2(34dimethoxyphenyl)12310btetrahydropyrrolo(21a)isoquinoline1carboxylate
methyl(1R2S3S)3((4chlorophenyl)carbamoyl)1cyano2(34dimethoxyphenyl)310bdihydro2Hpyrrolo(21a)isoquinoline1carboxylate
MFCD18242264
ZINC000100915992
ZINC000100915996

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Available files

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