Vitas-M small molecule compound
methyl N-[(2'-cyclohexyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl)carbonyl]-beta-alaninate
Catalog ID
STL318916
SMILES COC(=O)CCNC(=O)C1c2ccccc2C(=O)N(C21CCCCC2)C1CCCCC1
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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 C25H34N2O4 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N2O4/c1-31-21(28)14-17-26-23(29)22-19-12-6-7-13-20(19)24(30)27(18-10-4-2-5-11-18)25(22)15-8-3-9-16-25/h6-7,12-13,18,22H,2-5,8-11,14-17H2,1H3,(H,26,29)InChIKey
GEFLJGWIINQKOG-UHFFFAOYSA-NSynonyms
1401529-87-01401529870
COC(=O)CCNC(=O)C1C2=CC=CC=C2C(=O)N(C13CCCCC3)C4CCCCC4
InChI=1SC25H34N2O4c13121(28)14172623(29)221912671320(19)24(30)27(18104251118)25(22)158391625h6712131822H258111417H21H3(H2629)
methyl3((2cyclohexyl1oxospiro(4Hisoquinoline31cyclohexane)4carbonyl)amino)propanoate
methyl3(2cyclohexyl1oxo24dihydro1Hspiro(cyclohexane13isoquinolin)4ylcarboxamido)propanoate
methylN((2cyclohexyl1oxo14dihydro2Hspiro(cyclohexane13isoquinolin)4yl)carbonyl)betaalaninate
MFCD28031564
ZINC000079483344
ZINC000079483347
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