Vitas-M small molecule compound

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

Catalog ID
STK654560
SMILES COC(=O)[C@@H](NC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccccc1)Cc1ccccc1

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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 C22H25N3O6S MW 459.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O6S/c1-31-22(28)18(14-16-8-4-2-5-9-16)24-20(26)15-19-21(27)23-12-13-25(19)32(29,30)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,23,27)(H,24,26)/t18-,19?/m0/s1
InChIKey
YFBOGKLWKPCXDG-OYKVQYDMSA-N
Synonyms
1491155-87-3
(2S)methyl2(2(3oxo1(phenylsulfonyl)piperazin2yl)acetamido)3phenylpropanoate
1491155873
COC(=O)(C@@H)(NC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccccc1)Cc1ccccc1
COC(=O)C(CC1=CC=CC=C1)NC(=O)CC2C(=O)NCCN2S(=O)(=O)C3=CC=CC=C3
InChI=1SC22H25N3O6Sc13122(28)18(14168425916)2420(26)151921(27)23121325(19)32(2930)17106371117h2111819H1215H21H3(H2327)(H2426)t1819?m0s1
methyl(2S)2((2(1(benzenesulfonyl)3oxopiperazin2yl)acetyl)amino)3phenylpropanoate
methylN((3oxo1(phenylsulfonyl)piperazin2yl)acetyl)Lphenylalaninate
MFCD18167062
ZINC000032102182
ZINC000032102184

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Available files

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