Vitas-M small molecule compound

ethyl 1-[3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanoyl]piperidine-3-carboxylate

Catalog ID
STK654212
SMILES CCOC(=O)C1CCCN(C1)C(=O)CCC1NC(=O)c2c(N=C1O)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 C20H25N3O5 MW 387.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5/c1-2-28-20(27)13-6-5-11-23(12-13)17(24)10-9-16-19(26)21-15-8-4-3-7-14(15)18(25)22-16/h3-4,7-8,13,16H,2,5-6,9-12H2,1H3,(H,21,26)(H,22,25)
InChIKey
HAEOFHHLRUWDET-UHFFFAOYSA-N
Synonyms
1190758-29-2
1190758292
CCOC(=O)C1CCCN(C1)C(=O)CCC2C(=O)NC3=CC=CC=C3C(=O)N2
ethyl1(3(25dioxo34dihydro1H14benzodiazepin3yl)propanoyl)piperidine3carboxylate
ethyl1(3(2hydroxy5oxo45dihydro3H14benzodiazepin3yl)propanoyl)piperidine3carboxylate
InChI=1SC20H25N3O5c122820(27)13651123(1213)17(24)1091619(26)2115843714(15)18(25)2216h34781316H256912H21H3(H2126)(H2225)
MFCD18166956
ZINC000032094980
ZINC000035598227

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Available files

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