Vitas-M small molecule compound

ethyl 3-({2-[4-(ethoxycarbonyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate

Catalog ID
STK538446
SMILES CCOC(=O)N1CCN(CC1)C(C(=O)Nc1c([nH]c2c1cc(F)cc2)C(=O)OCC)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 C21H27FN4O5 MW 434.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27FN4O5/c1-4-30-20(28)18-17(15-12-14(22)6-7-16(15)23-18)24-19(27)13(3)25-8-10-26(11-9-25)21(29)31-5-2/h6-7,12-13,23H,4-5,8-11H2,1-3H3,(H,24,27)
InChIKey
QMWZRHKBCAYKNN-UHFFFAOYSA-N
Synonyms
383893-46-7
383893467
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C(C)N3CCN(CC3)C(=O)OCC
CCOC(=O)N1CCN(CC1)C(C(=O)Nc1c((nH)c2c1cc(F)cc2)C(=O)OCC)C
ethyl3((2(4(ethoxycarbonyl)piperazin1yl)propanoyl)amino)5fluoro1Hindole2carboxylate
ethyl3(2(4(ethoxycarbonyl)piperazin1yl)propanamido)5fluoro1Hindole2carboxylate
ETHYL3(2(4ETHOXYCARBONYLPIPERAZIN1YL)PROPANOYLAMINO)5FLUORO1HINDOLE2CARBOXYLATE
InChI=1SC21H27FN4O5c143020(28)1817(151214(22)6716(15)2318)2419(27)13(3)2581026(11925)21(29)3152h67121323H45811H213H3(H2427)
MFCD03000585
ZINC000035999886
ZINC000035999887

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Available files

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