Vitas-M small molecule compound

methyl N-{[2'-(2-methylpropyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinolin]-4'-yl]carbonyl}-beta-alaninate

Catalog ID
STL308841
SMILES COC(=O)CCNC(=O)C1c2ccccc2C(=O)N(C21CCCC2)CC(C)C

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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/c1-15(2)14-24-21(27)17-9-5-4-8-16(17)19(22(24)11-6-7-12-22)20(26)23-13-10-18(25)28-3/h4-5,8-9,15,19H,6-7,10-14H2,1-3H3,(H,23,26)
InChIKey
QBMKBQUQDQDEMJ-UHFFFAOYSA-N
Synonyms
1401529-66-5
1401529665
CC(C)CN1C(=O)C2=CC=CC=C2C(C13CCCC3)C(=O)NCCC(=O)OC
InChI=1SC22H30N2O4c115(2)142421(27)17954816(17)19(22(24)11671222)20(26)23131018(25)283h45891519H671014H213H3(H2326)
methyl3((2(2methylpropyl)1oxospiro(4Hisoquinoline31cyclopentane)4carbonyl)amino)propanoate
methyl3(2isobutyl1oxo24dihydro1Hspiro(cyclopentane13isoquinolin)4ylcarboxamido)propanoate
methylN((2(2methylpropyl)1oxo14dihydro2Hspiro(cyclopentane13isoquinolin)4yl)carbonyl)betaalaninate
MFCD28028596
ZINC000079479499
ZINC000079479504

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Available files

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