Vitas-M small molecule compound
methyl N-{[2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinolin]-4'-yl]carbonyl}-beta-alaninate
Catalog ID
STL318583
SMILES COCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)NCCC(=O)OC
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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 C21H28N2O5 MW 388.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O5/c1-27-14-13-23-20(26)16-8-4-3-7-15(16)18(21(23)10-5-6-11-21)19(25)22-12-9-17(24)28-2/h3-4,7-8,18H,5-6,9-14H2,1-2H3,(H,22,25)InChIKey
CGOQMOXONLNHOQ-UHFFFAOYSA-NSynonyms
1401529-55-21401529552
COCCN1C(=O)C2=CC=CC=C2C(C13CCCC3)C(=O)NCCC(=O)OC
InChI=1SC21H28N2O5c12714132320(26)16843715(16)18(21(23)10561121)19(25)2212917(24)282h347818H56914H212H3(H2225)
methyl3((2(2methoxyethyl)1oxospiro(4Hisoquinoline31cyclopentane)4carbonyl)amino)propanoate
methyl3(2(2methoxyethyl)1oxo24dihydro1Hspiro(cyclopentane13isoquinolin)4ylcarboxamido)propanoate
methylN((2(2methoxyethyl)1oxo14dihydro2Hspiro(cyclopentane13isoquinolin)4yl)carbonyl)betaalaninate
MFCD28031369
ZINC000095479412
ZINC000095479413
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