Vitas-M small molecule compound

1-[(3R)-3-(4-chlorophenyl)-4-{[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}butanoyl]piperidine-4-carboxylic acid

Catalog ID
STK615422
SMILES Clc1ccc(cc1)C(CC(=O)N1CCC(CC1)C(=O)O)CNC(=O)[C@H]1NCc2c(C1)cccc2

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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 C26H30ClN3O4 MW 483.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30ClN3O4/c27-22-7-5-17(6-8-22)21(14-24(31)30-11-9-18(10-12-30)26(33)34)16-29-25(32)23-13-19-3-1-2-4-20(19)15-28-23/h1-8,18,21,23,28H,9-16H2,(H,29,32)(H,33,34)/t21-,23-/m0/s1
InChIKey
OSOKUTZDEKEZSV-GMAHTHKFSA-N
Synonyms

1((3R)3(4chlorophenyl)4(((3S)1234tetrahydroisoquinolin2ium3carbonyl)amino)butanoyl)piperidine4carboxylate
1((3R)3(4chlorophenyl)4(((3S)1234tetrahydroisoquinolin3ylcarbonyl)amino)butanoyl)piperidine4carboxylicacid
1((R)3(4chlorophenyl)4((S)1234tetrahydroisoquinoline3carboxamido)butanoyl)piperidine4carboxylicacidhydrochloride
C1CN(CCC1C(=O)(O))C(=O)CC(CNC(=O)C2CC3=CC=CC=C3C(NH2+)2)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)(C@@H)(CC(=O)N1CCC(CC1)C(=O)O)CNC(=O)(C@H)1NCc2c(C1)cccc2Cl
Clc1ccc(cc1)C(CC(=O)N1CCC(CC1)C(=O)O)CNC(=O)(C@H)1NCc2c(C1)cccc2
InChI=1SC26H30ClN3O4c27227517(6822)21(1424(31)3011918(101230)26(33)34)162925(32)231319312420(19)152823h1818212328H916H2(H2932)(H3334)t2123m0s1
MFCD08291194
ZINC000008769082
ZINC08769082
ZINC8769082

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Available files

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