Vitas-M small molecule compound
methyl N-[(2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinolin]-4'-yl)carbonyl]-beta-alaninate
Catalog ID
STL320073
SMILES CCCCN1C(=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 C22H30N2O4 MW 386.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O4/c1-3-4-15-24-21(27)17-10-6-5-9-16(17)19(22(24)12-7-8-13-22)20(26)23-14-11-18(25)28-2/h5-6,9-10,19H,3-4,7-8,11-15H2,1-2H3,(H,23,26)InChIKey
CWOMXMAMTDTLQA-UHFFFAOYSA-NSynonyms
1401529-92-71401529927
CCCCN1C(=O)C2=CC=CC=C2C(C13CCCC3)C(=O)NCCC(=O)OC
InChI=1SC22H30N2O4c134152421(27)171065916(17)19(22(24)12781322)20(26)23141118(25)282h5691019H34781115H212H3(H2326)
methyl3((2butyl1oxospiro(4Hisoquinoline31cyclopentane)4carbonyl)amino)propanoate
methyl3(2butyl1oxo24dihydro1Hspiro(cyclopentane13isoquinolin)4ylcarboxamido)propanoate
methylN((2butyl1oxo14dihydro2Hspiro(cyclopentane13isoquinolin)4yl)carbonyl)betaalaninate
MFCD28029285
ZINC000079482502
ZINC000079482505
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