Vitas-M small molecule compound

1-[(2E)-3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-indol-3-yl}-2-cyanoprop-2-enoyl]piperidine-4-carboxamide

Catalog ID
STL371823
SMILES N#C/C(=C\c1cn(c2c1cccc2)CCOc1ccc(c(c1)C)Cl)/C(=O)N1CCC(CC1)C(=O)N

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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 C27H27ClN4O3 MW 490.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN4O3/c1-18-14-22(6-7-24(18)28)35-13-12-32-17-21(23-4-2-3-5-25(23)32)15-20(16-29)27(34)31-10-8-19(9-11-31)26(30)33/h2-7,14-15,17,19H,8-13H2,1H3,(H2,30,33)/b20-15+
InChIKey
FMIMHXMZPUELLS-HMMYKYKNSA-N
Synonyms

1((2E)3(1(2(4chloro3methylphenoxy)ethyl)1Hindol3yl)2cyanoprop2enoyl)piperidine4carboxamide
1((2E)3(1(2(4CHLORO3METHYLPHENOXY)ETHYL)INDOL3YL)2CYANOPROP2ENOYL)PIPERIDINE4CARBOXAMIDE
1((E)3(1(2(4CHLORO3METHYLPHENOXY)ETHYL)INDOL3YL)2CYANOPROP2ENOYL)PIPERIDINE4CARBOXAMIDE
CC1=C(C=CC(=C1)OCCN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)N4CCC(CC4)C(=O)N)Cl
InChI=1SC27H27ClN4O3c1181422(6724(18)28)351312321721(23423525(23)32)1520(1629)27(34)3110819(91131)26(30)33h2714151719H813H21H3(H23033)b2015+
MFCD02232246
N#CC(=Cc1cn(c2c1cccc2)CCOc1ccc(c(c1)C)Cl)C(=O)N1CCC(CC1)C(=O)N
ZINC000000872850
ZINC00872850
ZINC872850

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Available files

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