Vitas-M small molecule compound

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

Catalog ID
STK546706
SMILES COc1ccc(cc1)[C@@H]1[C@@H](C(=O)Nc2ccc(cc2)Cl)N2C([C@]1(C#N)C(=O)OC)c1ccccc1C=C2

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

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 C29H24ClN3O4 MW 513.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN3O4/c1-36-22-13-7-19(8-14-22)24-25(27(34)32-21-11-9-20(30)10-12-21)33-16-15-18-5-3-4-6-23(18)26(33)29(24,17-31)28(35)37-2/h3-16,24-26H,1-2H3,(H,32,34)/t24-,25+,26?,29-/m1/s1
InChIKey
GHPFPMADBAZKRL-RCPALMFLSA-N
Synonyms
1014101-05-3
(1R2S3S)methyl3((4chlorophenyl)carbamoyl)1cyano2(4methoxyphenyl)12310btetrahydropyrrolo(21a)isoquinoline1carboxylate
1014101053
COC1=CC=C(C=C1)C2C(N3C=CC4=CC=CC=C4C3C2(C#N)C(=O)OC)C(=O)NC5=CC=C(C=C5)Cl
COc1ccc(cc1)(C@@H)1(C@@H)(C(=O)Nc2ccc(cc2)Cl)N2C((C@)1(C#N)C(=O)OC)c1ccccc1C=C2
InChI=1SC29H24ClN3O4c1362213719(81422)2425(27(34)322111920(30)101221)33161518534623(18)26(33)29(241731)28(35)372h3162426H12H3(H3234)t2425+26?29m1s1
methyl(1R2S3S)3((4chlorophenyl)carbamoyl)1cyano2(4methoxyphenyl)12310btetrahydropyrrolo(21a)isoquinoline1carboxylate
methyl(1R2S3S)3((4chlorophenyl)carbamoyl)1cyano2(4methoxyphenyl)310bdihydro2Hpyrrolo(21a)isoquinoline1carboxylate
MFCD18242305
ZINC000035369321
ZINC000035369323

Check stock

See real-time availability and sample size for STK546706 on the Vitas-M platform.

Check stock on Vitas-M

Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.