Vitas-M small molecule compound

ethyl 1,2-dimethyl-5-[(3-phenylprop-2-ynoyl)oxy]-1H-indole-3-carboxylate

Catalog ID
STK869842
SMILES CCOC(=O)c1c(C)n(c2c1cc(cc2)OC(=O)C#Cc1ccccc1)C

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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 C22H19NO4 MW 361.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO4/c1-4-26-22(25)21-15(2)23(3)19-12-11-17(14-18(19)21)27-20(24)13-10-16-8-6-5-7-9-16/h5-9,11-12,14H,4H2,1-3H3
InChIKey
KNDHLBTYCQAGON-UHFFFAOYSA-N
Synonyms

3(ETHOXYCARBONYL)12DIMETHYLINDOL5YL3PHENYLPROP2YNOATE
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C#CC3=CC=CC=C3)C)C
ethyl12dimethyl5((3phenylprop2ynoyl)oxy)1Hindole3carboxylate
ethyl12dimethyl5((3phenylpropioloyl)oxy)1Hindole3carboxylate
ethyl12dimethyl5(3phenylprop2ynoyloxy)indole3carboxylate
InChI=1SC22H19NO4c142622(25)2115(2)23(3)19121117(1418(19)21)2720(24)1310168657916h59111214H4H213H3
MFCD01646573
ZINC000000975720
ZINC00975720
ZINC975720

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Available files

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