Vitas-M small molecule compound
methyl N-{[2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl]carbonyl}-beta-alaninate
Catalog ID
STK635308
SMILES COCCN1C(=O)c2ccccc2C(C21CCCCC2)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 C22H30N2O5 MW 402.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O5/c1-28-15-14-24-21(27)17-9-5-4-8-16(17)19(22(24)11-6-3-7-12-22)20(26)23-13-10-18(25)29-2/h4-5,8-9,19H,3,6-7,10-15H2,1-2H3,(H,23,26)InChIKey
VHGVBBQVCWVZIB-UHFFFAOYSA-NSynonyms
1212436-77-51212436775
COCCN1C(=O)C2=CC=CC=C2C(C13CCCCC3)C(=O)NCCC(=O)OC
InChI=1SC22H30N2O5c12815142421(27)17954816(17)19(22(24)116371222)20(26)23131018(25)292h458919H3671015H212H3(H2326)
methyl3((2(2methoxyethyl)1oxospiro(4Hisoquinoline31cyclohexane)4carbonyl)amino)propanoate
methyl3(2(2methoxyethyl)1oxo24dihydro1Hspiro(cyclohexane13isoquinolin)4ylcarboxamido)propanoate
methylN((2(2methoxyethyl)1oxo14dihydro2Hspiro(cyclohexane13isoquinolin)4yl)carbonyl)betaalaninate
MFCD18160686
ZINC000020730963
ZINC000020730967
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