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
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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 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/s1InChIKey
GHPFPMADBAZKRL-RCPALMFLSA-NSynonyms
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
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.