Vitas-M small molecule compound

methyl N-{[3-oxo-1-(phenylsulfonyl)piperazin-2-yl]acetyl}-beta-alaninate

Catalog ID
STK647619
SMILES COC(=O)CCNC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccccc1

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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 C16H21N3O6S MW 383.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O6S/c1-25-15(21)7-8-17-14(20)11-13-16(22)18-9-10-19(13)26(23,24)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,20)(H,18,22)
InChIKey
KHYXZTOJBJDSPG-UHFFFAOYSA-N
Synonyms
1214815-17-4
1214815174
COC(=O)CCNC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=CC=C2
InChI=1SC16H21N3O6Sc12515(21)781714(20)111316(22)1891019(13)26(2324)125324612h2613H711H21H3(H1720)(H1822)
methyl3((2(1(benzenesulfonyl)3oxopiperazin2yl)acetyl)amino)propanoate
methyl3(2(3oxo1(phenylsulfonyl)piperazin2yl)acetamido)propanoate
methylN((3oxo1(phenylsulfonyl)piperazin2yl)acetyl)betaalaninate
MFCD13755509
ZINC000036352706
ZINC000036352707

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Available files

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