Vitas-M small molecule compound

N~2~-{[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidin-3-yl]carbonyl}-N-cyclohexyl-L-valinamide

Catalog ID
STK584250
SMILES CC([C@@H](C(=O)NC1CCCCC1)NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCO2)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 C23H31N3O5 MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3O5/c1-14(2)21(23(29)24-16-6-4-3-5-7-16)25-22(28)15-10-20(27)26(12-15)17-8-9-18-19(11-17)31-13-30-18/h8-9,11,14-16,21H,3-7,10,12-13H2,1-2H3,(H,24,29)(H,25,28)/t15?,21-/m0/s1
InChIKey
BRKLDEYYQPXSMA-FXMQYSIJSA-N
Synonyms
1014045-07-8
1(13benzodioxol5yl)N((2S)1(cyclohexylamino)3methyl1oxobutan2yl)5oxopyrrolidine3carboxamide
1(benzo(d)(13)dioxol5yl)N((S)1(cyclohexylamino)3methyl1oxobutan2yl)5oxopyrrolidine3carboxamide
1014045078
CC((C@@H)(C(=O)NC1CCCCC1)NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCO2)C
CC(C)C(C(=O)NC1CCCCC1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4
InChI=1SC23H31N3O5c114(2)21(23(29)24166435716)2522(28)151020(27)26(1215)17891819(1117)31133018h8911141621H37101213H212H3(H2429)(H2528)t15?21m0s1
MFCD18245743
N~2~((1(13benzodioxol5yl)5oxopyrrolidin3yl)carbonyl)NcyclohexylLvalinamide
N2((1(13BENZODIOXOL5YL)5OXOPYRROLIDIN3YL)CARBONYL)NCYCLOHEXYLLVALINAMIDE
ZINC000009510550
ZINC000009510553

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Available files

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