Vitas-M small molecule compound
methyl (1R,2S,3S)-3-[(4-chlorophenyl)carbamoyl]-1-cyano-2-(furan-2-yl)-1,2,3,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carboxylate
Catalog ID
STK547655
SMILES COC(=O)[C@]1(C#N)[C@H](c2ccco2)[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 C26H20ClN3O4 MW 473.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClN3O4/c1-33-25(32)26(15-28)21(20-7-4-14-34-20)22(24(31)29-18-10-8-17(27)9-11-18)30-13-12-16-5-2-3-6-19(16)23(26)30/h2-14,21-23H,1H3,(H,29,31)/t21-,22+,23?,26-/m1/s1InChIKey
IBEJKUWPZOCXIB-SLJHHMTISA-NSynonyms
1212482-19-3(1R2S3S)methyl3((4chlorophenyl)carbamoyl)1cyano2(furan2yl)12310btetrahydropyrrolo(21a)isoquinoline1carboxylate
1212482193
COC(=O)(C@)1(C#N)(C@H)(c2ccco2)(C@H)(N2C1c1ccccc1C=C2)C(=O)Nc1ccc(cc1)Cl
COC(=O)C1(C(C(N2C1C3=CC=CC=C3C=C2)C(=O)NC4=CC=C(C=C4)Cl)C5=CC=CO5)C#N
InChI=1SC26H20ClN3O4c13325(32)26(1528)21(2074143420)22(24(31)291810817(27)91118)30131216523619(16)23(26)30h2142123H1H3(H2931)t2122+23?26m1s1
methyl(1R2S3S)3((4chlorophenyl)carbamoyl)1cyano2(furan2yl)12310btetrahydropyrrolo(21a)isoquinoline1carboxylate
methyl(1R2S3S)3((4chlorophenyl)carbamoyl)1cyano2(furan2yl)310bdihydro2Hpyrrolo(21a)isoquinoline1carboxylate
MFCD18242361
ZINC000035369307
ZINC000035369309
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.