Vitas-M small molecule compound

methyl {3-[(1E)-2-cyano-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}acetate

Catalog ID
STK185346
SMILES N#C/C(=C\c1cn(c2c1cccc2)CC(=O)OC)/C(=O)N1CCOCC1

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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 C19H19N3O4 MW 353.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O4/c1-25-18(23)13-22-12-15(16-4-2-3-5-17(16)22)10-14(11-20)19(24)21-6-8-26-9-7-21/h2-5,10,12H,6-9,13H2,1H3/b14-10+
InChIKey
DJNKLJHRLLEVRG-GXDHUFHOSA-N
Synonyms

COC(=O)CN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)N3CCOCC3
InChI=1SC19H19N3O4c12518(23)13221215(16423517(16)22)1014(1120)19(24)2168269721h251012H6913H21H3b1410+
METHYL(3((1E)2CYANO3(MORPHOLIN4YL)3OXOPROP1EN1YL)1HINDOL1YL)ACETATE
METHYL2(3((E)2CYANO3MORPHOLIN4YL3OXOPROP1ENYL)INDOL1YL)ACETATE
MFCD04558531
N#CC(=Cc1cn(c2c1cccc2)CC(=O)OC)C(=O)N1CCOCC1
ZINC000004711048
ZINC04711048
ZINC4711048

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Available files

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