Vitas-M small molecule compound

methyl N-[(2'-cyclopentyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl)carbonyl]-beta-alaninate

Catalog ID
STL319256
SMILES COC(=O)CCNC(=O)C1c2ccccc2C(=O)N(C21CCCCC2)C1CCCC1

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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 C24H32N2O4 MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32N2O4/c1-30-20(27)13-16-25-22(28)21-18-11-5-6-12-19(18)23(29)26(17-9-3-4-10-17)24(21)14-7-2-8-15-24/h5-6,11-12,17,21H,2-4,7-10,13-16H2,1H3,(H,25,28)
InChIKey
DGVIUIDUJMUIBO-UHFFFAOYSA-N
Synonyms
1401529-50-7
1401529507
COC(=O)CCNC(=O)C1C2=CC=CC=C2C(=O)N(C13CCCCC3)C4CCCC4
InChI=1SC24H32N2O4c13020(27)13162522(28)211811561219(18)23(29)26(179341017)24(21)147281524h5611121721H247101316H21H3(H2528)
methyl3((2cyclopentyl1oxospiro(4Hisoquinoline31cyclohexane)4carbonyl)amino)propanoate
methyl3(2cyclopentyl1oxo24dihydro1Hspiro(cyclohexane13isoquinolin)4ylcarboxamido)propanoate
methylN((2cyclopentyl1oxo14dihydro2Hspiro(cyclohexane13isoquinolin)4yl)carbonyl)betaalaninate
MFCD28031765
ZINC000079495114
ZINC000079495118

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Available files

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