Vitas-M small molecule compound

methyl 4-({3-[(3S)-2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]propanoyl}amino)benzoate

Catalog ID
STL536546
SMILES COC(=O)c1ccc(cc1)NC(=O)CC[C@@H]1NC(=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 C20H19N3O5 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5/c1-28-20(27)12-6-8-13(9-7-12)21-17(24)11-10-16-19(26)22-15-5-3-2-4-14(15)18(25)23-16/h2-9,16H,10-11H2,1H3,(H,21,24)(H,22,26)(H,23,25)/t16-/m0/s1
InChIKey
OJAXEVVXQANBGK-INIZCTEOSA-N
Synonyms
1246076-72-1
1246076721
51052352
InChI=1SC20H19N3O5c12820(27)126813(9712)2117(24)11101619(26)2215532414(15)18(25)2316h2916H1011H21H3(H2124)(H2226)(H2325)t16m0s1
methyl4((3((3S)2hydroxy5oxo45dihydro3H14benzodiazepin3yl)propanoyl)amino)benzoate
methyl4(3((3~(S))25dioxo34dihydro1~(H)14benzodiazepin3yl)propanoylamino)benzoate
ZINC000049543687
ZINC49543687

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Available files

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