Vitas-M small molecule compound

methyl N-{[(3S)-2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl]acetyl}-L-valinate

Catalog ID
STL536187
SMILES COC(=O)[C@H](C(C)C)NC(=O)C[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 C17H21N3O5 MW 347.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O5/c1-9(2)14(17(24)25-3)20-13(21)8-12-16(23)18-11-7-5-4-6-10(11)15(22)19-12/h4-7,9,12,14H,8H2,1-3H3,(H,18,23)(H,19,22)(H,20,21)/t12-,14-/m0/s1
InChIKey
MXTFVRXMWOVQPY-JSGCOSHPSA-N
Synonyms
1491146-27-0
1491146270
51052258
InChI=1SC17H21N3O5c19(2)14(17(24)253)2013(21)81216(23)1811754610(11)15(22)1912h4791214H8H213H3(H1823)(H1922)(H2021)t1214m0s1
methyl(2~(S))2((2((3~(S))25dioxo34dihydro1~(H)14benzodiazepin3yl)acetyl)amino)3methylbutanoate
methylN(((3S)2hydroxy5oxo45dihydro3H14benzodiazepin3yl)acetyl)Lvalinate
ZINC000049543499
ZINC49543499

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Available files

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