Vitas-M small molecule compound
methyl N-{[2'-(2-methylpropyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl]carbonyl}-beta-alaninate
Catalog ID
STL319418
SMILES COC(=O)CCNC(=O)C1c2ccccc2C(=O)N(C21CCCCC2)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 C23H32N2O4 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N2O4/c1-16(2)15-25-22(28)18-10-6-5-9-17(18)20(23(25)12-7-4-8-13-23)21(27)24-14-11-19(26)29-3/h5-6,9-10,16,20H,4,7-8,11-15H2,1-3H3,(H,24,27)InChIKey
CELWDEFWRZHHTD-UHFFFAOYSA-NSynonyms
1401529-70-11401529701
CC(C)CN1C(=O)C2=CC=CC=C2C(C13CCCCC3)C(=O)NCCC(=O)OC
InChI=1SC23H32N2O4c116(2)152522(28)181065917(18)20(23(25)127481323)21(27)24141119(26)293h569101620H4781115H213H3(H2427)
methyl3((2(2methylpropyl)1oxospiro(4Hisoquinoline31cyclohexane)4carbonyl)amino)propanoate
methyl3(2isobutyl1oxo24dihydro1Hspiro(cyclohexane13isoquinolin)4ylcarboxamido)propanoate
methylN((2(2methylpropyl)1oxo14dihydro2Hspiro(cyclohexane13isoquinolin)4yl)carbonyl)betaalaninate
MFCD28031856
ZINC000079488852
ZINC000079488858
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